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

C16H21ClF2N2O — CID 120600418

IUPAC2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2CC2c2ccc(F)c(F)c2)CCN1.Cl
InChIInChI=1S/C16H20F2N2O.ClH/c1-9-6-11(4-5-19-9)20-16(21)13-8-12(13)10-2-3-14(17)15(18)7-10;/h2-3,7,9,11-13,19H,4-6,8H2,1H3,(H,20,21);1H
InChIKeyPGRJEOPTDTVGTR-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.75
Rot. Bonds3

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

2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120600418) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120600418
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2CC2c2ccc(F)c(F)c2)CCN1.Cl
InChIInChI=1S/C16H20F2N2O.ClH/c1-9-6-11(4-5-19-9)20-16(21)13-8-12(13)10-2-3-14(17)15(18)7-10;/h2-3,7,9,11-13,19H,4-6,8H2,1H3,(H,20,21);1H
InChIKeyPGRJEOPTDTVGTR-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120600612
2-(2,3-dichlorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599119
N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119997140
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119451122
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride (CID 120600418) is 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride is CC1CC(NC(=O)C2CC2c2ccc(F)c(F)c2)CCN1.Cl.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PGRJEOPTDTVGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.ClH/c1-9-6-11(4-5-19-9)20-16(21)13-8-12(13)10-2-3-14(17)15(18)7-10;/h2-3,7,9,11-13,19H,4-6,8H2,1H3,(H,20,21);1H.
What are the key properties of 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120600418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).