2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide

C16H20F2N2O — CID 120557241

IUPAC2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C16H20F2N2O/c1-9-8-19-5-4-15(9)20-16(21)13-7-11(13)12-6-10(17)2-3-14(12)18/h2-3,6,9,11,13,15,19H,4-5,7-8H2,1H3,(H,20,21)
InChIKeyGXTOSSJZFZJWGY-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.18
Rot. Bonds3

About 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 120557241) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID120557241
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C16H20F2N2O/c1-9-8-19-5-4-15(9)20-16(21)13-7-11(13)12-6-10(17)2-3-14(12)18/h2-3,6,9,11,13,15,19H,4-5,7-8H2,1H3,(H,20,21)
InChIKeyGXTOSSJZFZJWGY-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120555147
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2-fluoro-4-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555140
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2-(2,5-difluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111697111

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 120557241) is 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide is CC1CNCCC1NC(=O)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is GXTOSSJZFZJWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-9-8-19-5-4-15(9)20-16(21)13-7-11(13)12-6-10(17)2-3-14(12)18/h2-3,6,9,11,13,15,19H,4-5,7-8H2,1H3,(H,20,21).
What are the key properties of 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 120557241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).