4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C25H36N4O3 — CID 17474266

IUPAC4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1
InChIInChI=1S/C25H36N4O3/c30-23(27-14-6-1-2-7-15-27)20-10-16-28(17-11-20)24(31)21-12-18-29(19-13-21)25(32)26-22-8-4-3-5-9-22/h3-5,8-9,20-21H,1-2,6-7,10-19H2,(H,26,32)
InChIKeyVBHAYQPWMYLRCT-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.57
Rot. Bonds3

About 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 17474266) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID17474266
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1
InChIInChI=1S/C25H36N4O3/c30-23(27-14-6-1-2-7-15-27)20-10-16-28(17-11-20)24(31)21-12-18-29(19-13-21)25(32)26-22-8-4-3-5-9-22/h3-5,8-9,20-21H,1-2,6-7,10-19H2,(H,26,32)
InChIKeyVBHAYQPWMYLRCT-UHFFFAOYSA-N
XLogP3.57
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
CID 74243293
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
CID 77038685
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 17474266) is 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1.
What is the InChIKey of 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is VBHAYQPWMYLRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c30-23(27-14-6-1-2-7-15-27)20-10-16-28(17-11-20)24(31)21-12-18-29(19-13-21)25(32)26-22-8-4-3-5-9-22/h3-5,8-9,20-21H,1-2,6-7,10-19H2,(H,26,32).
What are the key properties of 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 17474266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).