N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C21H24FN3O3S — CID 39947147

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-5-3-16(4-6-18)15-25(19-7-8-19)21(26)17-9-12-24(13-10-17)29(27,28)20-2-1-11-23-14-20/h1-6,11,14,17,19H,7-10,12-13,15H2
InChIKeyJKZBVMHDEDBRDR-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.81
Rot. Bonds6

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 39947147) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID39947147
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-5-3-16(4-6-18)15-25(19-7-8-19)21(26)17-9-12-24(13-10-17)29(27,28)20-2-1-11-23-14-20/h1-6,11,14,17,19H,7-10,12-13,15H2
InChIKeyJKZBVMHDEDBRDR-UHFFFAOYSA-N
XLogP2.81
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 31122765
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46409150
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
N-[(2-ethoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55861405
1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 90521668
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066570
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712917
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 39947147) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JKZBVMHDEDBRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-18-5-3-16(4-6-18)15-25(19-7-8-19)21(26)17-9-12-24(13-10-17)29(27,28)20-2-1-11-23-14-20/h1-6,11,14,17,19H,7-10,12-13,15H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 39947147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).