N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C18H26N2O4S — CID 3153026

IUPACN-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1
InChIInChI=1S/C18H26N2O4S/c1-24-16-8-10-17(11-9-16)25(22,23)20-12-4-5-14(13-20)18(21)19-15-6-2-3-7-15/h8-11,14-15H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyXDXMMGOMZPTEDU-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.15
Rot. Bonds5

About N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3153026) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3153026
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1
InChIInChI=1S/C18H26N2O4S/c1-24-16-8-10-17(11-9-16)25(22,23)20-12-4-5-14(13-20)18(21)19-15-6-2-3-7-15/h8-11,14-15H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyXDXMMGOMZPTEDU-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 9293273
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41091084
methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 2082059
(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 87924630
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 3153026) is N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCC3)C2)cc1.
What is the InChIKey of N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is XDXMMGOMZPTEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-24-16-8-10-17(11-9-16)25(22,23)20-12-4-5-14(13-20)18(21)19-15-6-2-3-7-15/h8-11,14-15H,2-7,12-13H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3153026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).