3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide

C28H37FN2O2 — CID 10275845

IUPAC3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C28H37FN2O2/c1-20(2)28(27(32)30-19-23-6-4-5-7-26(23)33-3)15-12-25(18-28)31-16-13-22(14-17-31)21-8-10-24(29)11-9-21/h4-11,20,22,25H,12-19H2,1-3H3,(H,30,32)
InChIKeyVNQPGXOQVLOCDF-UHFFFAOYSA-N
MW452.61 g/mol
LogP5.53
Rot. Bonds7

About 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide

3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 10275845) has the molecular formula C28H37FN2O2 and a molecular weight of 452.61 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID10275845
Molecular FormulaC28H37FN2O2
Molecular Weight452.61 g/mol
Exact Mass452.28
IUPAC Name3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C28H37FN2O2/c1-20(2)28(27(32)30-19-23-6-4-5-7-26(23)33-3)15-12-25(18-28)31-16-13-22(14-17-31)21-8-10-24(29)11-9-21/h4-11,20,22,25H,12-19H2,1-3H3,(H,30,32)
InChIKeyVNQPGXOQVLOCDF-UHFFFAOYSA-N
XLogP5.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[cyano-(2-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 10051341
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
CID 2891278
N-(2-methoxybenzyl)-3-phenylbutanamide
CID 2914849
8-[2-(4-Fluoro-phenyl)-cyclohexyl]-4-(4-methoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 21082577
N-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-2-(2-trifluoromethyl-phenyl)-acetamide
CID 21994308
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[2-(2-methoxy-phenyl)-2-piperidin-1-yl-ethyl]-acetamide
CID 21994363
N-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-2-(3,5-dimethyl-phenyl)-acetamide
CID 21994365
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-1-(4-methoxyphenyl)-N-methylcyclopropanecarboxamide
CID 53326275
6-(2-Methoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69082267
6-(2-Fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69083745
6-[(2-Methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one
CID 11763757

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide (CID 10275845) is 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide is COc1ccccc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is VNQPGXOQVLOCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN2O2/c1-20(2)28(27(32)30-19-23-6-4-5-7-26(23)33-3)15-12-25(18-28)31-16-13-22(14-17-31)21-8-10-24(29)11-9-21/h4-11,20,22,25H,12-19H2,1-3H3,(H,30,32).
What are the key properties of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 452.61 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 10275845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).