2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride

C16H21ClF2N2O — CID 120577001

IUPAC2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C16H20F2N2O.ClH/c1-9-14(6-3-7-19-9)20-16(21)11-8-10(11)15-12(17)4-2-5-13(15)18;/h2,4-5,9-11,14,19H,3,6-8H2,1H3,(H,20,21);1H
InChIKeyJLZFKMREFXRRAS-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.75
Rot. Bonds3

About 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride

2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120577001) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120577001
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C16H20F2N2O.ClH/c1-9-14(6-3-7-19-9)20-16(21)11-8-10(11)15-12(17)4-2-5-13(15)18;/h2,4-5,9-11,14,19H,3,6-8H2,1H3,(H,20,21);1H
InChIKeyJLZFKMREFXRRAS-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

2-(3,5-dichlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 120574563
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119602373
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 97010636
2-(2,6-difluorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119451294
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119602374
2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517154
N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
CID 120573458
N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide
CID 120576328
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119428601
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
2-(3-fluorophenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 120573514

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride (CID 120577001) is 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1CC1c1c(F)cccc1F.Cl.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is JLZFKMREFXRRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.ClH/c1-9-14(6-3-7-19-9)20-16(21)11-8-10(11)15-12(17)4-2-5-13(15)18;/h2,4-5,9-11,14,19H,3,6-8H2,1H3,(H,20,21);1H.
What are the key properties of 2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride?
2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-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-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120577001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).