1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide

C23H29N3O5S — CID 55828569

IUPAC1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H29N3O5S/c1-15-10-16(2)12-18(11-15)23(28)26-9-5-6-17(14-26)22(27)24-19-7-8-21(31-3)20(13-19)25-32(4,29)30/h7-8,10-13,17,25H,5-6,9,14H2,1-4H3,(H,24,27)
InChIKeyZDNPUCSTENFIDJ-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.17
Rot. Bonds6

About 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide (PubChem CID 55828569) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide
PubChem CID55828569
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H29N3O5S/c1-15-10-16(2)12-18(11-15)23(28)26-9-5-6-17(14-26)22(27)24-19-7-8-21(31-3)20(13-19)25-32(4,29)30/h7-8,10-13,17,25H,5-6,9,14H2,1-4H3,(H,24,27)
InChIKeyZDNPUCSTENFIDJ-UHFFFAOYSA-N
XLogP3.17
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]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

(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55791693
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
S-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56544317
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide (CID 55828569) is 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1NS(C)(=O)=O.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide?
The InChIKey is ZDNPUCSTENFIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-15-10-16(2)12-18(11-15)23(28)26-9-5-6-17(14-26)22(27)24-19-7-8-21(31-3)20(13-19)25-32(4,29)30/h7-8,10-13,17,25H,5-6,9,14H2,1-4H3,(H,24,27).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55828569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).