1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide

C19H27N5O5S — CID 26337547

IUPAC1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)NC(C)C)nn3)C2)cc1OC
InChIInChI=1S/C19H27N5O5S/c1-13(2)20-19(25)16-12-24(22-21-16)14-6-5-9-23(11-14)30(26,27)15-7-8-17(28-3)18(10-15)29-4/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H,20,25)/t14-/m1/s1
InChIKeyIQUQPCSIEOJZFZ-CQSZACIVSA-N
MW437.52 g/mol
LogP1.46
Rot. Bonds7

About 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide

1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 26337547) has the molecular formula C19H27N5O5S and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID26337547
Molecular FormulaC19H27N5O5S
Molecular Weight437.52 g/mol
Exact Mass437.17
IUPAC Name1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)NC(C)C)nn3)C2)cc1OC
InChIInChI=1S/C19H27N5O5S/c1-13(2)20-19(25)16-12-24(22-21-16)14-6-5-9-23(11-14)30(26,27)15-7-8-17(28-3)18(10-15)29-4/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H,20,25)/t14-/m1/s1
InChIKeyIQUQPCSIEOJZFZ-CQSZACIVSA-N
XLogP1.46
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-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

4-cyclopropyl-1-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190782
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45206580
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 7457802
N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
N-propan-2-yl-1-[(3R)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343421
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404720
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
N-[1-(4-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133163361
(3S)-N-tert-butyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 7453401

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide (CID 26337547) is 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)NC(C)C)nn3)C2)cc1OC.
What is the InChIKey of 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is IQUQPCSIEOJZFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O5S/c1-13(2)20-19(25)16-12-24(22-21-16)14-6-5-9-23(11-14)30(26,27)15-7-8-17(28-3)18(10-15)29-4/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H,20,25)/t14-/m1/s1.
What are the key properties of 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 26337547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).