N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C19H25ClN4O3S — CID 53085542

IUPACN-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H25ClN4O3S/c1-14(2)23-12-18(22-13-23)28(26,27)24-9-7-16(8-10-24)19(25)21-11-15-3-5-17(20)6-4-15/h3-6,12-14,16H,7-11H2,1-2H3,(H,21,25)
InChIKeyXFXRXDRXOGBKJQ-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.83
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085542) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085542
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H25ClN4O3S/c1-14(2)23-12-18(22-13-23)28(26,27)24-9-7-16(8-10-24)19(25)21-11-15-3-5-17(20)6-4-15/h3-6,12-14,16H,7-11H2,1-2H3,(H,21,25)
InChIKeyXFXRXDRXOGBKJQ-UHFFFAOYSA-N
XLogP2.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553
N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085590
N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085539
N-[(4-bromophenyl)methyl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085528
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073498
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073497
N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085593
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[(4-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285506
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530
ethyl 4-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 53085575
N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085613

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085542) is N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XFXRXDRXOGBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3S/c1-14(2)23-12-18(22-13-23)28(26,27)24-9-7-16(8-10-24)19(25)21-11-15-3-5-17(20)6-4-15/h3-6,12-14,16H,7-11H2,1-2H3,(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 424.95 g/mol, XLogP of 2.83, 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-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).