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

C16H22ClFN2O — CID 120556663

IUPAC1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-11-10-18-9-6-14(11)19-15(20)16(7-8-16)12-2-4-13(17)5-3-12;/h2-5,11,14,18H,6-10H2,1H3,(H,19,20);1H
InChIKeyVPWMXKGLTHDWRL-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.39
Rot. Bonds3

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

1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120556663) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID120556663
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-11-10-18-9-6-14(11)19-15(20)16(7-8-16)12-2-4-13(17)5-3-12;/h2-5,11,14,18H,6-10H2,1H3,(H,19,20);1H
InChIKeyVPWMXKGLTHDWRL-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120553583
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553584
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120556704
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120575377
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride (CID 120556663) is 1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1(c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is VPWMXKGLTHDWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c1-11-10-18-9-6-14(11)19-15(20)16(7-8-16)12-2-4-13(17)5-3-12;/h2-5,11,14,18H,6-10H2,1H3,(H,19,20);1H.
What are the key properties of 1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride?
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.39, 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-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120556663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).