(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide

C17H25N3O3 — CID 95150630

IUPAC(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c1-13-8-9-14(16(21)18-10-11-23-2)12-20(13)17(22)19-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,14+/m0/s1
InChIKeyIOBLILORFNMRHN-UONOGXRCSA-N
MW319.40 g/mol
LogP2.08
Rot. Bonds5

About (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide

(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 95150630) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID95150630
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c1-13-8-9-14(16(21)18-10-11-23-2)12-20(13)17(22)19-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,14+/m0/s1
InChIKeyIOBLILORFNMRHN-UONOGXRCSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
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)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95733928
(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95290519
3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
CID 122019084
3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide
CID 48812935
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250
6-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182103
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412
(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 97072416
(3R,6R)-1-(4-ethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671477
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
(3S,6R)-1-(3-fluoro-4-methylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671510
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055365

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide (CID 95150630) is (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is IOBLILORFNMRHN-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-8-9-14(16(21)18-10-11-23-2)12-20(13)17(22)19-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,14+/m0/s1.
What are the key properties of (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95150630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).