(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide

C15H22N2O3 — CID 1474768

IUPAC(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1OC
InChIInChI=1S/C15H22N2O3/c1-11-6-4-5-9-17(11)15(18)16-12-7-8-13(19-2)14(10-12)20-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyZQDZMLGPNCTUOE-NSHDSACASA-N
MW278.35 g/mol
LogP3.11
Rot. Bonds3

About (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide

(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide (PubChem CID 1474768) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
PubChem CID1474768
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1OC
InChIInChI=1S/C15H22N2O3/c1-11-6-4-5-9-17(11)15(18)16-12-7-8-13(19-2)14(10-12)20-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyZQDZMLGPNCTUOE-NSHDSACASA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
(2R)-N-(4-methoxynaphthalen-2-yl)-2-methylpyrrolidine-1-carboxamide
CID 91045210
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 55698643
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
1-[(3-chloro-4-methoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182045
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
N-(3,4-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 78843301
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide (CID 1474768) is (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1OC.
What is the InChIKey of (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide?
The InChIKey is ZQDZMLGPNCTUOE-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-6-4-5-9-17(11)15(18)16-12-7-8-13(19-2)14(10-12)20-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide?
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 1474768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).