1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide

C19H27FN2O — CID 120556704

IUPAC1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C19H27FN2O/c1-14-13-21-11-8-17(14)22-18(23)19(9-3-2-4-10-19)15-6-5-7-16(20)12-15/h5-7,12,14,17,21H,2-4,8-11,13H2,1H3,(H,22,23)
InChIKeyPHGQJPGHDMQSES-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.14
Rot. Bonds3

About 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide

1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 120556704) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID120556704
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C19H27FN2O/c1-14-13-21-11-8-17(14)22-18(23)19(9-3-2-4-10-19)15-6-5-7-16(20)12-15/h5-7,12,14,17,21H,2-4,8-11,13H2,1H3,(H,22,23)
InChIKeyPHGQJPGHDMQSES-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120556663
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
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
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120553583
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 120556704) is 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide is CC1CNCCC1NC(=O)C1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is PHGQJPGHDMQSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-14-13-21-11-8-17(14)22-18(23)19(9-3-2-4-10-19)15-6-5-7-16(20)12-15/h5-7,12,14,17,21H,2-4,8-11,13H2,1H3,(H,22,23).
What are the key properties of 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 120556704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).