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

C25H32N2O4 — CID 51959136

IUPAC(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C25H32N2O4/c1-16-11-17(2)13-20(12-16)25(29)27-10-6-7-19(15-27)24(28)26-18(3)22-14-21(30-4)8-9-23(22)31-5/h8-9,11-14,18-19H,6-7,10,15H2,1-5H3,(H,26,28)/t18-,19-/m1/s1
InChIKeyMJNCFEXYTSINPA-RTBURBONSA-N
MW424.54 g/mol
LogP4.05
Rot. Bonds6

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

(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 51959136) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID51959136
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C25H32N2O4/c1-16-11-17(2)13-20(12-16)25(29)27-10-6-7-19(15-27)24(28)26-18(3)22-14-21(30-4)8-9-23(22)31-5/h8-9,11-14,18-19H,6-7,10,15H2,1-5H3,(H,26,28)/t18-,19-/m1/s1
InChIKeyMJNCFEXYTSINPA-RTBURBONSA-N
XLogP4.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 43057044
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
1-(benzenesulfonyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 55650398
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787157
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
1-[4-(azepane-1-carbonyl)phenyl]-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55834664
(3R)-1-[(2-chlorophenyl)methyl]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100662416
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 51959136) is (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1.
What is the InChIKey of (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is MJNCFEXYTSINPA-RTBURBONSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-16-11-17(2)13-20(12-16)25(29)27-10-6-7-19(15-27)24(28)26-18(3)22-14-21(30-4)8-9-23(22)31-5/h8-9,11-14,18-19H,6-7,10,15H2,1-5H3,(H,26,28)/t18-,19-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 51959136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).