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

C22H31N3O2 — CID 53146022

IUPACN-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)c(N2CCCCCC2)c1)C1CC1
InChIInChI=1S/C22H31N3O2/c26-21(17-8-9-17)23-18-10-11-19(22(27)25-14-6-3-7-15-25)20(16-18)24-12-4-1-2-5-13-24/h10-11,16-17H,1-9,12-15H2,(H,23,26)
InChIKeyCFOSWOHHDVSXCR-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.04
Rot. Bonds4

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

N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide (PubChem CID 53146022) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
PubChem CID53146022
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)c(N2CCCCCC2)c1)C1CC1
InChIInChI=1S/C22H31N3O2/c26-21(17-8-9-17)23-18-10-11-19(22(27)25-14-6-3-7-15-25)20(16-18)24-12-4-1-2-5-13-24/h10-11,16-17H,1-9,12-15H2,(H,23,26)
InChIKeyCFOSWOHHDVSXCR-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
tert-butyl 4-[2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)benzoyl]piperazine-1-carboxylate
CID 157036231
N-[3-(azepan-1-yl)-4-(4-pyridin-3-ylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 157036100
N-[3-(azepan-1-yl)-4-[4-(1,2-oxazol-3-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 157036237
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 42678524
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclopentanecarboxamide
CID 42678411
N-[4-[(2S)-2-phenylpyrrolidine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 170160660
N-[3-(azepan-1-yl)-4-[2-(hydroxymethyl)-4-methylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 157036289
N-[3-(azepan-1-yl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 157036127
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 157036371
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55884883

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide (CID 53146022) is N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCCCC2)c(N2CCCCCC2)c1)C1CC1.
What is the InChIKey of N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The InChIKey is CFOSWOHHDVSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(17-8-9-17)23-18-10-11-19(22(27)25-14-6-3-7-15-25)20(16-18)24-12-4-1-2-5-13-24/h10-11,16-17H,1-9,12-15H2,(H,23,26).
What are the key properties of N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide?
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 53146022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).