2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride

C16H21ClF2N2O — CID 120555147

IUPAC2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CC1c1ccc(F)cc1F.Cl
InChIInChI=1S/C16H20F2N2O.ClH/c1-9-8-19-5-4-15(9)20-16(21)13-7-12(13)11-3-2-10(17)6-14(11)18;/h2-3,6,9,12-13,15,19H,4-5,7-8H2,1H3,(H,20,21);1H
InChIKeySKRWFYWLLBHQLM-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.60
Rot. Bonds3

About 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride

2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120555147) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120555147
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CC1c1ccc(F)cc1F.Cl
InChIInChI=1S/C16H20F2N2O.ClH/c1-9-8-19-5-4-15(9)20-16(21)13-7-12(13)11-3-2-10(17)6-14(11)18;/h2-3,6,9,12-13,15,19H,4-5,7-8H2,1H3,(H,20,21);1H
InChIKeySKRWFYWLLBHQLM-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120557241
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
2-(2,4-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119536420
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853
cis-(1R,3S)-3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678040
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119557840
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropane-1-carboxamide
CID 98848072
2-fluoro-4-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555140

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride (CID 120555147) is 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1CC1c1ccc(F)cc1F.Cl.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is SKRWFYWLLBHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.ClH/c1-9-8-19-5-4-15(9)20-16(21)13-7-12(13)11-3-2-10(17)6-14(11)18;/h2-3,6,9,12-13,15,19H,4-5,7-8H2,1H3,(H,20,21);1H.
What are the key properties of 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120555147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).