1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide

C25H35F3N4O3 — CID 171676221

IUPAC1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(C2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)CC1)C(F)(F)F
InChIInChI=1S/C25H35F3N4O3/c1-3-21(25(26,27)28)29-23(34)18-9-13-31(14-10-18)20-11-15-32(16-12-20)22(33)17-30(2)24(35)19-7-5-4-6-8-19/h4-8,18,20-21H,3,9-17H2,1-2H3,(H,29,34)
InChIKeyJZUWXRHHLDQDPB-UHFFFAOYSA-N
MW496.57 g/mol
LogP2.92
Rot. Bonds7

About 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide

1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide (PubChem CID 171676221) has the molecular formula C25H35F3N4O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide
PubChem CID171676221
Molecular FormulaC25H35F3N4O3
Molecular Weight496.57 g/mol
Exact Mass496.27
IUPAC Name1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(C2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)CC1)C(F)(F)F
InChIInChI=1S/C25H35F3N4O3/c1-3-21(25(26,27)28)29-23(34)18-9-13-31(14-10-18)20-11-15-32(16-12-20)22(33)17-30(2)24(35)19-7-5-4-6-8-19/h4-8,18,20-21H,3,9-17H2,1-2H3,(H,29,34)
InChIKeyJZUWXRHHLDQDPB-UHFFFAOYSA-N
XLogP2.92
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 171676223
1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 75448366
1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236319
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 55567018
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924
1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235772

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide (CID 171676221) is 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide is CCC(NC(=O)C1CCN(C2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)CC1)C(F)(F)F.
What is the InChIKey of 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide?
The InChIKey is JZUWXRHHLDQDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3N4O3/c1-3-21(25(26,27)28)29-23(34)18-9-13-31(14-10-18)20-11-15-32(16-12-20)22(33)17-30(2)24(35)19-7-5-4-6-8-19/h4-8,18,20-21H,3,9-17H2,1-2H3,(H,29,34).
What are the key properties of 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide?
1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 171676221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).