N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide

C28H40N4O — CID 42451656

IUPACN,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide
SMILESCN(C)C(=O)c1ccc(N2CCC(NC[C@H]3CCCN(CCc4ccccc4)C3)CC2)cc1
InChIInChI=1S/C28H40N4O/c1-30(2)28(33)25-10-12-27(13-11-25)32-19-15-26(16-20-32)29-21-24-9-6-17-31(22-24)18-14-23-7-4-3-5-8-23/h3-5,7-8,10-13,24,26,29H,6,9,14-22H2,1-2H3/t24-/m1/s1
InChIKeyWYRDOHUAYPREHI-XMMPIXPASA-N
MW448.66 g/mol
LogP3.90
Rot. Bonds8

About N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide

N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide (PubChem CID 42451656) has the molecular formula C28H40N4O and a molecular weight of 448.66 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide
PubChem CID42451656
Molecular FormulaC28H40N4O
Molecular Weight448.66 g/mol
Exact Mass448.32
IUPAC NameN,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide
SMILESCN(C)C(=O)c1ccc(N2CCC(NC[C@H]3CCCN(CCc4ccccc4)C3)CC2)cc1
InChIInChI=1S/C28H40N4O/c1-30(2)28(33)25-10-12-27(13-11-25)32-19-15-26(16-20-32)29-21-24-9-6-17-31(22-24)18-14-23-7-4-3-5-8-23/h3-5,7-8,10-13,24,26,29H,6,9,14-22H2,1-2H3/t24-/m1/s1
InChIKeyWYRDOHUAYPREHI-XMMPIXPASA-N
XLogP3.90
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.66
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
CID 45177868
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520
4-[[[ethylamino-[[1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874482
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
1-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]urea
CID 126438052
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N,N-dimethyl-4-[4-(1-phenylpiperidin-4-yl)piperidin-1-yl]benzamide
CID 140931570
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 45210227
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide (CID 42451656) is N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide is CN(C)C(=O)c1ccc(N2CCC(NC[C@H]3CCCN(CCc4ccccc4)C3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide?
The InChIKey is WYRDOHUAYPREHI-XMMPIXPASA-N. The full InChI is InChI=1S/C28H40N4O/c1-30(2)28(33)25-10-12-27(13-11-25)32-19-15-26(16-20-32)29-21-24-9-6-17-31(22-24)18-14-23-7-4-3-5-8-23/h3-5,7-8,10-13,24,26,29H,6,9,14-22H2,1-2H3/t24-/m1/s1.
What are the key properties of N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide?
N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide has a molecular weight of 448.66 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 42451656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).