(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

C24H30N2O4 — CID 94029737

IUPAC(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C24H30N2O4/c1-16-10-17(2)12-19(11-16)24(28)26-9-5-6-18(15-26)23(27)25-14-20-13-21(29-3)7-8-22(20)30-4/h7-8,10-13,18H,5-6,9,14-15H2,1-4H3,(H,25,27)/t18-/m1/s1
InChIKeyMCAROFZOOSZDKU-GOSISDBHSA-N
MW410.51 g/mol
LogP3.49
Rot. Bonds6

About (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 94029737) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID94029737
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C24H30N2O4/c1-16-10-17(2)12-19(11-16)24(28)26-9-5-6-18(15-26)23(27)25-14-20-13-21(29-3)7-8-22(20)30-4/h7-8,10-13,18H,5-6,9,14-15H2,1-4H3,(H,25,27)/t18-/m1/s1
InChIKeyMCAROFZOOSZDKU-GOSISDBHSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)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

(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 51959136
1-(3,5-dimethylbenzoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 56524012
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 50765425

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 94029737) is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1.
What is the InChIKey of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is MCAROFZOOSZDKU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16-10-17(2)12-19(11-16)24(28)26-9-5-6-18(15-26)23(27)25-14-20-13-21(29-3)7-8-22(20)30-4/h7-8,10-13,18H,5-6,9,14-15H2,1-4H3,(H,25,27)/t18-/m1/s1.
What are the key properties of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94029737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).