N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol

C27H41FN2O2 — CID 169151615

IUPACN-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol
SMILESCC.CO.Cc1cccc(F)c1C(=O)N1CCCCC1.c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C13H16FNO.C11H15N.C2H6.CH4O/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15;1-2-6-10(7-3-1)12-11-8-4-5-9-11;2*1-2/h5-7H,2-4,8-9H2,1H3;1-3,6-7,11-12H,4-5,8-9H2;1-2H3;2H,1H3
InChIKeyOHQHWGIZEQLNOG-UHFFFAOYSA-N
MW444.64 g/mol
LogP6.44
Rot. Bonds3

About N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol

N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol (PubChem CID 169151615) has the molecular formula C27H41FN2O2 and a molecular weight of 444.64 g/mol. Its IUPAC name is N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol.

Molecular Properties

Compound NameN-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol
PubChem CID169151615
Molecular FormulaC27H41FN2O2
Molecular Weight444.64 g/mol
Exact Mass444.32
IUPAC NameN-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol
SMILESCC.CO.Cc1cccc(F)c1C(=O)N1CCCCC1.c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C13H16FNO.C11H15N.C2H6.CH4O/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15;1-2-6-10(7-3-1)12-11-8-4-5-9-11;2*1-2/h5-7H,2-4,8-9H2,1H3;1-3,6-7,11-12H,4-5,8-9H2;1-2H3;2H,1H3
InChIKeyOHQHWGIZEQLNOG-UHFFFAOYSA-N
XLogP6.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.64
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 146793309
[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 177369510
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
[2-[4-(cyclopentylamino)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 174188149
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 113003080
[4-(cyclopropylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(2-fluoro-6-methylphenyl)methanone
CID 131684759
(3S)-1-(2-fluoro-6-methylbenzoyl)-N-(3-piperidin-1-ylphenyl)piperidine-3-carboxamide
CID 129074399
(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 126604008
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 121381991
(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone
CID 100616310
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-[3-(1,1-difluoroethyl)-4-methylphenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 46830716

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol?
The IUPAC name of N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol (CID 169151615) is N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol.
What is the SMILES notation for N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol?
The canonical SMILES for N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol is CC.CO.Cc1cccc(F)c1C(=O)N1CCCCC1.c1ccc(NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol?
The InChIKey is OHQHWGIZEQLNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO.C11H15N.C2H6.CH4O/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15;1-2-6-10(7-3-1)12-11-8-4-5-9-11;2*1-2/h5-7H,2-4,8-9H2,1H3;1-3,6-7,11-12H,4-5,8-9H2;1-2H3;2H,1H3.
What are the key properties of N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol?
N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol has a molecular weight of 444.64 g/mol, XLogP of 6.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol is sourced from PubChem (CID 169151615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).