(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

C19H30N2O — CID 2057088

IUPAC(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(C)ccc2C)C1
InChIInChI=1S/C19H30N2O/c1-5-21(6-2)19(22)17-8-7-11-20(13-17)14-18-12-15(3)9-10-16(18)4/h9-10,12,17H,5-8,11,13-14H2,1-4H3/t17-/m1/s1
InChIKeyFUVQWGXSWZNEJA-QGZVFWFLSA-N
MW302.46 g/mol
LogP3.38
Rot. Bonds5

About (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2057088) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID2057088
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(C)ccc2C)C1
InChIInChI=1S/C19H30N2O/c1-5-21(6-2)19(22)17-8-7-11-20(13-17)14-18-12-15(3)9-10-16(18)4/h9-10,12,17H,5-8,11,13-14H2,1-4H3/t17-/m1/s1
InChIKeyFUVQWGXSWZNEJA-QGZVFWFLSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-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)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 100780184
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1069661
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26316206

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (CID 2057088) is (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(C)ccc2C)C1.
What is the InChIKey of (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is FUVQWGXSWZNEJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-21(6-2)19(22)17-8-7-11-20(13-17)14-18-12-15(3)9-10-16(18)4/h9-10,12,17H,5-8,11,13-14H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2057088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).