(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide

C21H33N3O4S — CID 9293273

IUPAC(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1
InChIInChI=1S/C21H33N3O4S/c1-3-12-23-14-10-18(11-15-23)22-21(25)17-5-4-13-24(16-17)29(26,27)20-8-6-19(28-2)7-9-20/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyXVTZNMHQXFJECX-QGZVFWFLSA-N
MW423.58 g/mol
LogP2.09
Rot. Bonds7

About (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 9293273) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID9293273
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1
InChIInChI=1S/C21H33N3O4S/c1-3-12-23-14-10-18(11-15-23)22-21(25)17-5-4-13-24(16-17)29(26,27)20-8-6-19(28-2)7-9-20/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyXVTZNMHQXFJECX-QGZVFWFLSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41091084
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46420149
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 9225422
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide (CID 9293273) is (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide is CCCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is XVTZNMHQXFJECX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-3-12-23-14-10-18(11-15-23)22-21(25)17-5-4-13-24(16-17)29(26,27)20-8-6-19(28-2)7-9-20/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)sulfonyl-N-(1-propylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 9293273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).