N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide

C23H29ClN4O3S — CID 50841322

IUPACN-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H29ClN4O3S/c24-20-8-6-18(7-9-20)17-26-23(29)19-10-15-27(16-11-19)22-21(5-4-12-25-22)32(30,31)28-13-2-1-3-14-28/h4-9,12,19H,1-3,10-11,13-17H2,(H,26,29)
InChIKeyFWAQXGBPKFIODL-UHFFFAOYSA-N
MW477.03 g/mol
LogP3.44
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 50841322) has the molecular formula C23H29ClN4O3S and a molecular weight of 477.03 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID50841322
Molecular FormulaC23H29ClN4O3S
Molecular Weight477.03 g/mol
Exact Mass476.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H29ClN4O3S/c24-20-8-6-18(7-9-20)17-26-23(29)19-10-15-27(16-11-19)22-21(5-4-12-25-22)32(30,31)28-13-2-1-3-14-28/h4-9,12,19H,1-3,10-11,13-17H2,(H,26,29)
InChIKeyFWAQXGBPKFIODL-UHFFFAOYSA-N
XLogP3.44
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 50928010
N-[(4-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166129
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
CID 55729018
N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 123756072
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874930
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085542

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide (CID 50841322) is N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is FWAQXGBPKFIODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3S/c24-20-8-6-18(7-9-20)17-26-23(29)19-10-15-27(16-11-19)22-21(5-4-12-25-22)32(30,31)28-13-2-1-3-14-28/h4-9,12,19H,1-3,10-11,13-17H2,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 477.03 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 50841322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).