N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

C24H29FN2O2 — CID 46775304

IUPACN-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H29FN2O2/c25-23-8-4-1-5-19(23)17-27-15-13-18(14-16-27)24(28)26-20-9-11-22(12-10-20)29-21-6-2-3-7-21/h1,4-5,8-12,18,21H,2-3,6-7,13-17H2,(H,26,28)
InChIKeyGYXIAQSILSDDIE-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.00
Rot. Bonds6

About N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 46775304) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID46775304
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC NameN-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H29FN2O2/c25-23-8-4-1-5-19(23)17-27-15-13-18(14-16-27)24(28)26-20-9-11-22(12-10-20)29-21-6-2-3-7-21/h1,4-5,8-12,18,21H,2-3,6-7,13-17H2,(H,26,28)
InChIKeyGYXIAQSILSDDIE-UHFFFAOYSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007227
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42454778
N-(4-cyclopentyloxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138567
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-cyclopentyloxyphenyl)piperidine-4-carboxamide
CID 38158054
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea
CID 100763441
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45017760
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 46775304) is N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GYXIAQSILSDDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-23-8-4-1-5-19(23)17-27-15-13-18(14-16-27)24(28)26-20-9-11-22(12-10-20)29-21-6-2-3-7-21/h1,4-5,8-12,18,21H,2-3,6-7,13-17H2,(H,26,28).
What are the key properties of N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46775304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).