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

C16H21Cl2N3O2 — CID 119776899

IUPAC1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O2.ClH/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);1H
InChIKeyMOTVJMHADSALHL-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.82
Rot. Bonds3

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

1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119776899) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119776899
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O2.ClH/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);1H
InChIKeyMOTVJMHADSALHL-UHFFFAOYSA-N
XLogP2.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.82
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
CID 119776900
3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
CID 120500534
2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride
CID 120591834
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
CID 65464876
(2S)-2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119776951
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
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
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
CID 43348137
1-amino-N-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119708317

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119776899) is 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is MOTVJMHADSALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2.ClH/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);1H.
What are the key properties of 1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.82, 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;hydrochloride is sourced from PubChem (CID 119776899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).