2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide

C15H18Cl2N2O — CID 119386183

IUPAC2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CCNCC1)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2O/c16-13-3-1-2-10(14(13)17)11-8-12(11)15(20)19-9-4-6-18-7-5-9/h1-3,9,11-12,18H,4-8H2,(H,19,20)
InChIKeyHPDFGIDUUVVYCY-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.97
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide

2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide (PubChem CID 119386183) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide
PubChem CID119386183
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CCNCC1)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2O/c16-13-3-1-2-10(14(13)17)11-8-12(11)15(20)19-9-4-6-18-7-5-9/h1-3,9,11-12,18H,4-8H2,(H,19,20)
InChIKeyHPDFGIDUUVVYCY-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599119
2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111661170
2-naphthalen-1-yl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119454446
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704676
(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238549
trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 95621020
2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119451122
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119428601
2-(2,3-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide
CID 120650745
2-(2,6-difluorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119451294
N-pyrrolidin-3-yl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119449909

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide (CID 119386183) is 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide is O=C(NC1CCNCC1)C1CC1c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide?
The InChIKey is HPDFGIDUUVVYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-13-3-1-2-10(14(13)17)11-8-12(11)15(20)19-9-4-6-18-7-5-9/h1-3,9,11-12,18H,4-8H2,(H,19,20).
What are the key properties of 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide?
2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide has a molecular weight of 313.23 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 119386183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).