(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide

C19H25N3O3 — CID 95733928

IUPAC(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
SMILESC#Cc1cccc(NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1
InChIInChI=1S/C19H25N3O3/c1-4-15-6-5-7-17(12-15)21-19(24)22-13-16(9-8-14(22)2)18(23)20-10-11-25-3/h1,5-7,12,14,16H,8-11,13H2,2-3H3,(H,20,23)(H,21,24)/t14-,16+/m0/s1
InChIKeyUAKOEGRUBRIREW-GOEBONIOSA-N
MW343.43 g/mol
LogP2.06
Rot. Bonds5

About (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide

(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide (PubChem CID 95733928) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
PubChem CID95733928
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
SMILESC#Cc1cccc(NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1
InChIInChI=1S/C19H25N3O3/c1-4-15-6-5-7-17(12-15)21-19(24)22-13-16(9-8-14(22)2)18(23)20-10-11-25-3/h1,5-7,12,14,16H,8-11,13H2,2-3H3,(H,20,23)(H,21,24)/t14-,16+/m0/s1
InChIKeyUAKOEGRUBRIREW-GOEBONIOSA-N
XLogP2.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide 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

(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95290519
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide
CID 48812935
(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 97072416
3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
CID 122019084
6-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182103
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
(3R,6R)-1-(4-ethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671477
(3S,6R)-1-(3-fluoro-4-methylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671510
N'-(3-ethynylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]oxamide
CID 95312423
3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 138993226
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide (CID 95733928) is (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide is C#Cc1cccc(NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1.
What is the InChIKey of (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The InChIKey is UAKOEGRUBRIREW-GOEBONIOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-15-6-5-7-17(12-15)21-19(24)22-13-16(9-8-14(22)2)18(23)20-10-11-25-3/h1,5-7,12,14,16H,8-11,13H2,2-3H3,(H,20,23)(H,21,24)/t14-,16+/m0/s1.
What are the key properties of (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
(3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-N-(3-ethynylphenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95733928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).