tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide

C118H141FN10O11 — CID 160763331

IUPACtert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide
SMILESCC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CCN(CCF)CC2)cc1.CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CCNCC2)cc1.CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)CC1
InChIInChI=1S/C34H43N3O4.C31H38FN3O2.C29H35N3O2.C24H25NO3/c1-33(2,3)30(25-14-16-29(17-15-25)40-23-28-9-7-8-20-35-28)24-10-12-26(13-11-24)31(38)36-27-18-21-37(22-19-27)32(39)41-34(4,5)6;1-31(2,3)29(24-11-13-28(14-12-24)37-22-27-6-4-5-18-33-27)23-7-9-25(10-8-23)30(36)34-26-15-19-35(20-16-26)21-17-32;1-29(2,3)27(22-11-13-26(14-12-22)34-20-25-6-4-5-17-31-25)21-7-9-23(10-8-21)28(33)32-24-15-18-30-19-16-24;1-24(2,3)22(17-7-9-19(10-8-17)23(26)27)18-11-13-21(14-12-18)28-16-20-6-4-5-15-25-20/h7-17,20,27,30H,18-19,21-23H2,1-6H3,(H,36,38);4-14,18,26,29H,15-17,19-22H2,1-3H3,(H,34,36);4-14,17,24,27,30H,15-16,18-20H2,1-3H3,(H,32,33);4-15,22H,16H2,1-3H3,(H,26,27)
InChIKeyRYJAJKKOSXQVOY-UHFFFAOYSA-N
MW1894.48 g/mol
LogP23.83
Rot. Bonds29

About tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide

tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide (PubChem CID 160763331) has the molecular formula C118H141FN10O11 and a molecular weight of 1894.48 g/mol. Its IUPAC name is tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Nametert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide
PubChem CID160763331
Molecular FormulaC118H141FN10O11
Molecular Weight1894.48 g/mol
Exact Mass1893.08
IUPAC Nametert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide
SMILESCC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CCN(CCF)CC2)cc1.CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CCNCC2)cc1.CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)CC1
InChIInChI=1S/C34H43N3O4.C31H38FN3O2.C29H35N3O2.C24H25NO3/c1-33(2,3)30(25-14-16-29(17-15-25)40-23-28-9-7-8-20-35-28)24-10-12-26(13-11-24)31(38)36-27-18-21-37(22-19-27)32(39)41-34(4,5)6;1-31(2,3)29(24-11-13-28(14-12-24)37-22-27-6-4-5-18-33-27)23-7-9-25(10-8-23)30(36)34-26-15-19-35(20-16-26)21-17-32;1-29(2,3)27(22-11-13-26(14-12-22)34-20-25-6-4-5-17-31-25)21-7-9-23(10-8-21)28(33)32-24-15-18-30-19-16-24;1-24(2,3)22(17-7-9-19(10-8-17)23(26)27)18-11-13-21(14-12-18)28-16-20-6-4-5-15-25-20/h7-17,20,27,30H,18-19,21-23H2,1-6H3,(H,36,38);4-14,18,26,29H,15-17,19-22H2,1-3H3,(H,34,36);4-14,17,24,27,30H,15-16,18-20H2,1-3H3,(H,32,33);4-15,22H,16H2,1-3H3,(H,26,27)
InChIKeyRYJAJKKOSXQVOY-UHFFFAOYSA-N
XLogP23.83
TPSA257.89 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001894.48
LogP ≤ 523.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide with MolForge

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Related Compounds

4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide
CID 143789516
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 158658010
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-[[4-[(2S)-2-aminooxy-3-benzhydryloxy-3-oxopropoxy]benzoyl]amino]piperidine-1-carboxylate
CID 175761234
4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859103
4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-(1,3-thiazol-2-yl)benzamide
CID 87464231
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
CID 66864205
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide?
The IUPAC name of tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide (CID 160763331) is tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide?
The canonical SMILES for tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide is CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CCN(CCF)CC2)cc1.CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CCNCC2)cc1.CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)O)cc1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)CC1.
What is the InChIKey of tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide?
The InChIKey is RYJAJKKOSXQVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O4.C31H38FN3O2.C29H35N3O2.C24H25NO3/c1-33(2,3)30(25-14-16-29(17-15-25)40-23-28-9-7-8-20-35-28)24-10-12-26(13-11-24)31(38)36-27-18-21-37(22-19-27)32(39)41-34(4,5)6;1-31(2,3)29(24-11-13-28(14-12-24)37-22-27-6-4-5-18-33-27)23-7-9-25(10-8-23)30(36)34-26-15-19-35(20-16-26)21-17-32;1-29(2,3)27(22-11-13-26(14-12-22)34-20-25-6-4-5-17-31-25)21-7-9-23(10-8-21)28(33)32-24-15-18-30-19-16-24;1-24(2,3)22(17-7-9-19(10-8-17)23(26)27)18-11-13-21(14-12-18)28-16-20-6-4-5-15-25-20/h7-17,20,27,30H,18-19,21-23H2,1-6H3,(H,36,38);4-14,18,26,29H,15-17,19-22H2,1-3H3,(H,34,36);4-14,17,24,27,30H,15-16,18-20H2,1-3H3,(H,32,33);4-15,22H,16H2,1-3H3,(H,26,27).
What are the key properties of tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide?
tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide has a molecular weight of 1894.48 g/mol, XLogP of 23.83, 29 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 160763331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).