2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide

C16H20Cl2N2O — CID 120574563

IUPAC2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCC1NCCCC1NC(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O/c1-9-15(3-2-4-19-9)20-16(21)14-8-13(14)10-5-11(17)7-12(18)6-10/h5-7,9,13-15,19H,2-4,8H2,1H3,(H,20,21)
InChIKeyJJGISPKUSKZAND-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.35
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide

2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 120574563) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide
PubChem CID120574563
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCC1NCCCC1NC(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O/c1-9-15(3-2-4-19-9)20-16(21)14-8-13(14)10-5-11(17)7-12(18)6-10/h5-7,9,13-15,19H,2-4,8H2,1H3,(H,20,21)
InChIKeyJJGISPKUSKZAND-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120577001
2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119449999
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
CID 120573458
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide
CID 120576328
6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120576633

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide (CID 120574563) is 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide is CC1NCCCC1NC(=O)C1CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JJGISPKUSKZAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-9-15(3-2-4-19-9)20-16(21)14-8-13(14)10-5-11(17)7-12(18)6-10/h5-7,9,13-15,19H,2-4,8H2,1H3,(H,20,21).
What are the key properties of 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide?
2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 120574563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).