1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide

C25H31FN2O3S — CID 55781036

IUPAC1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C25H31FN2O3S/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)19-27-24(29)21-12-16-28(17-13-21)32(30,31)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,27,29)
InChIKeyFJEBIPCSCYMTNV-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.00
Rot. Bonds7

About 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide

1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide (PubChem CID 55781036) has the molecular formula C25H31FN2O3S and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
PubChem CID55781036
Molecular FormulaC25H31FN2O3S
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C25H31FN2O3S/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)19-27-24(29)21-12-16-28(17-13-21)32(30,31)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,27,29)
InChIKeyFJEBIPCSCYMTNV-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 30391483
1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 24614549
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 60573498
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55745993
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 31344367
1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55800492
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92680370

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide (CID 55781036) is 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide?
The InChIKey is FJEBIPCSCYMTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3S/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)19-27-24(29)21-12-16-28(17-13-21)32(30,31)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,27,29).
What are the key properties of 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide?
1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55781036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).