N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

C16H19ClN2O2 — CID 108972050

IUPACN-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H19ClN2O2/c17-12-5-4-6-13(11-12)18-14(20)16(7-8-16)15(21)19-9-2-1-3-10-19/h4-6,11H,1-3,7-10H2,(H,18,20)
InChIKeyJGZZVCJJFRMBDG-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.07
Rot. Bonds3

About N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108972050) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108972050
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H19ClN2O2/c17-12-5-4-6-13(11-12)18-14(20)16(7-8-16)15(21)19-9-2-1-3-10-19/h4-6,11H,1-3,7-10H2,(H,18,20)
InChIKeyJGZZVCJJFRMBDG-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971734
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
1-(azepane-1-carbonyl)-N-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 108980503
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971674
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
1-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 108980445
N-(2,4-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971732
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972109
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 47335488
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972102

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108972050) is N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is O=C(Nc1cccc(Cl)c1)C1(C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is JGZZVCJJFRMBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-12-5-4-6-13(11-12)18-14(20)16(7-8-16)15(21)19-9-2-1-3-10-19/h4-6,11H,1-3,7-10H2,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108972050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).