(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide

C19H28N2O3 — CID 97072416

IUPAC(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(C)c2C)C1
InChIInChI=1S/C19H28N2O3/c1-13-6-5-7-17(15(13)3)19(23)21-12-16(9-8-14(21)2)18(22)20-10-11-24-4/h5-7,14,16H,8-12H2,1-4H3,(H,20,22)/t14-,16-/m1/s1
InChIKeyBUAYWRRITUBTQQ-GDBMZVCRSA-N
MW332.44 g/mol
LogP2.31
Rot. Bonds5

About (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide

(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide (PubChem CID 97072416) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
PubChem CID97072416
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(C)c2C)C1
InChIInChI=1S/C19H28N2O3/c1-13-6-5-7-17(15(13)3)19(23)21-12-16(9-8-14(21)2)18(22)20-10-11-24-4/h5-7,14,16H,8-12H2,1-4H3,(H,20,22)/t14-,16-/m1/s1
InChIKeyBUAYWRRITUBTQQ-GDBMZVCRSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,6S)-N-(2-methoxyethyl)-6-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 97221330
6-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182103
(3S,6R)-1-(3-fluoro-4-methylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671510
(3R,6R)-1-(4-ethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671477
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95733928
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055365
(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95290519
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412
3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide
CID 48812935
3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
CID 122019084

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide (CID 97072416) is (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide is COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(C)c2C)C1.
What is the InChIKey of (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is BUAYWRRITUBTQQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-6-5-7-17(15(13)3)19(23)21-12-16(9-8-14(21)2)18(22)20-10-11-24-4/h5-7,14,16H,8-12H2,1-4H3,(H,20,22)/t14-,16-/m1/s1.
What are the key properties of (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 97072416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).