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

C16H22ClFN2O — CID 120575377

IUPAC1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-11-14(3-2-10-18-11)19-15(20)16(8-9-16)12-4-6-13(17)7-5-12;/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,20);1H
InChIKeyBBDXGCFDYJWJEP-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.54
Rot. Bonds3

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

1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120575377) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120575377
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-11-14(3-2-10-18-11)19-15(20)16(8-9-16)12-4-6-13(17)7-5-12;/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,20);1H
InChIKeyBBDXGCFDYJWJEP-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120577312
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 120573779
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120556663
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134
1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
2-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573566
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120576460
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride (CID 120575377) is 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1(c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is BBDXGCFDYJWJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c1-11-14(3-2-10-18-11)19-15(20)16(8-9-16)12-4-6-13(17)7-5-12;/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,20);1H.
What are the key properties of 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride?
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120575377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).