(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C24H30N2O5 — CID 94082813

IUPAC(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-15-9-16(2)11-18(10-15)24(28)26-8-6-7-17(14-26)23(27)25-19-12-20(29-3)22(31-5)21(13-19)30-4/h9-13,17H,6-8,14H2,1-5H3,(H,25,27)/t17-/m0/s1
InChIKeyDMCUTZQZPGYPLP-KRWDZBQOSA-N
MW426.51 g/mol
LogP3.82
Rot. Bonds6

About (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 94082813) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
PubChem CID94082813
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-15-9-16(2)11-18(10-15)24(28)26-8-6-7-17(14-26)23(27)25-19-12-20(29-3)22(31-5)21(13-19)30-4/h9-13,17H,6-8,14H2,1-5H3,(H,25,27)/t17-/m0/s1
InChIKeyDMCUTZQZPGYPLP-KRWDZBQOSA-N
XLogP3.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide
CID 55828569
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
N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 49402246
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (CID 94082813) is (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc(OC)c1OC.
What is the InChIKey of (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is DMCUTZQZPGYPLP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-15-9-16(2)11-18(10-15)24(28)26-8-6-7-17(14-26)23(27)25-19-12-20(29-3)22(31-5)21(13-19)30-4/h9-13,17H,6-8,14H2,1-5H3,(H,25,27)/t17-/m0/s1.
What are the key properties of (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).