N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C17H24N2O4S — CID 1458164

IUPACN-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-23-15-4-6-16(7-5-15)24(21,22)19-10-8-14(9-11-19)17(20)18-12-13-2-3-13/h4-7,13-14H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyHDGSYRKEOFWLOJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.62
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1458164) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1458164
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-23-15-4-6-16(7-5-15)24(21,22)19-10-8-14(9-11-19)17(20)18-12-13-2-3-13/h4-7,13-14H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyHDGSYRKEOFWLOJ-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
(2R,3R)-2-{[(4-Methoxy-benzenesulfonyl)-methyl-amino]-methyl}-5-methyl-3-(piperidine-1-carbonyl)-hexanoic acid hydroxyamide
CID 9825927
1-butyl-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide
CID 9885716
3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 23553786
1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid
CID 737845
Methyl 1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxylate
CID 737721
Ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 848330

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1458164) is N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HDGSYRKEOFWLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-23-15-4-6-16(7-5-15)24(21,22)19-10-8-14(9-11-19)17(20)18-12-13-2-3-13/h4-7,13-14H,2-3,8-12H2,1H3,(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1458164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).