N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide

C23H31N3O3 — CID 31611202

IUPACN-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1)C1CC1
InChIInChI=1S/C23H31N3O3/c27-21(17-8-9-17)24-20-7-5-6-19(16-20)23(29)26-14-10-18(11-15-26)22(28)25-12-3-1-2-4-13-25/h5-7,16-18H,1-4,8-15H2,(H,24,27)
InChIKeyZKRJKLIDGKXELW-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.29
Rot. Bonds4

About N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide

N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 31611202) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID31611202
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1)C1CC1
InChIInChI=1S/C23H31N3O3/c27-21(17-8-9-17)24-20-7-5-6-19(16-20)23(29)26-14-10-18(11-15-26)22(28)25-12-3-1-2-4-13-25/h5-7,16-18H,1-4,8-15H2,(H,24,27)
InChIKeyZKRJKLIDGKXELW-UHFFFAOYSA-N
XLogP3.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
CID 44825551
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112506999
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825665
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide (CID 31611202) is N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1)C1CC1.
What is the InChIKey of N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ZKRJKLIDGKXELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c27-21(17-8-9-17)24-20-7-5-6-19(16-20)23(29)26-14-10-18(11-15-26)22(28)25-12-3-1-2-4-13-25/h5-7,16-18H,1-4,8-15H2,(H,24,27).
What are the key properties of N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide?
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 31611202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).