1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide

C16H20ClN3O2 — CID 119776900

IUPAC1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O2/c17-13-10-11(19-15(22)16(18)6-7-16)4-5-12(13)14(21)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9,18H2,(H,19,22)
InChIKeyUYERMNOHNLOVOG-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.40
Rot. Bonds3

About 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide

1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 119776900) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
PubChem CID119776900
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O2/c17-13-10-11(19-15(22)16(18)6-7-16)4-5-12(13)14(21)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9,18H2,(H,19,22)
InChIKeyUYERMNOHNLOVOG-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119776899
3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
CID 120500534
5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
CID 65464876
2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride
CID 120591834
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide
CID 119776940
(2S)-2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119776951
1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
CID 43348137
3-[(5-bromothiophene-2-carbonyl)amino]-N-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]oxolane-3-carboxamide
CID 68637675
1-(azepane-1-carbonyl)-N-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 108980503

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide (CID 119776900) is 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide is NC1(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1.
What is the InChIKey of 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UYERMNOHNLOVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-13-10-11(19-15(22)16(18)6-7-16)4-5-12(13)14(21)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9,18H2,(H,19,22).
What are the key properties of 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119776900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).