N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride

C16H22ClN3O2 — CID 119418264

IUPACN-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)N2CCCNCC2)cc1)C1CC1
InChIInChI=1S/C16H21N3O2.ClH/c20-15(12-2-3-12)18-14-6-4-13(5-7-14)16(21)19-10-1-8-17-9-11-19;/h4-7,12,17H,1-3,8-11H2,(H,18,20);1H
InChIKeyKUKAPEGAUUJHFY-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.89
Rot. Bonds3

About N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride

N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119418264) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119418264
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)N2CCCNCC2)cc1)C1CC1
InChIInChI=1S/C16H21N3O2.ClH/c20-15(12-2-3-12)18-14-6-4-13(5-7-14)16(21)19-10-1-8-17-9-11-19;/h4-7,12,17H,1-3,8-11H2,(H,18,20);1H
InChIKeyKUKAPEGAUUJHFY-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112825359
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]phenyl]cyclopropanecarboxamide
CID 23825072
3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17374583
(2R,3R)-3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520191

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride (CID 119418264) is N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride is Cl.O=C(Nc1ccc(C(=O)N2CCCNCC2)cc1)C1CC1.
What is the InChIKey of N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is KUKAPEGAUUJHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c20-15(12-2-3-12)18-14-6-4-13(5-7-14)16(21)19-10-1-8-17-9-11-19;/h4-7,12,17H,1-3,8-11H2,(H,18,20);1H.
What are the key properties of N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride?
N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119418264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).