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

C18H24N4O3 — CID 95290519

IUPAC(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C18H24N4O3/c1-13-6-7-15(17(23)20-8-9-25-2)12-22(13)18(24)21-16-5-3-4-14(10-16)11-19/h3-5,10,13,15H,6-9,12H2,1-2H3,(H,20,23)(H,21,24)/t13-,15+/m0/s1
InChIKeyYPDMXHGWGHVTGO-DZGCQCFKSA-N
MW344.42 g/mol
LogP1.95
Rot. Bonds5

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

(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide (PubChem CID 95290519) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
PubChem CID95290519
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C18H24N4O3/c1-13-6-7-15(17(23)20-8-9-25-2)12-22(13)18(24)21-16-5-3-4-14(10-16)11-19/h3-5,10,13,15H,6-9,12H2,1-2H3,(H,20,23)(H,21,24)/t13-,15+/m0/s1
InChIKeyYPDMXHGWGHVTGO-DZGCQCFKSA-N
XLogP1.95
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
3-N-(2-methoxyethyl)-6-methyl-1-N-quinolin-8-ylpiperidine-1,3-dicarboxamide
CID 48812935
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
(3R,6R)-1-(2,3-dimethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 97072416
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
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
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide (CID 95290519) is (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide is COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The InChIKey is YPDMXHGWGHVTGO-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-6-7-15(17(23)20-8-9-25-2)12-22(13)18(24)21-16-5-3-4-14(10-16)11-19/h3-5,10,13,15H,6-9,12H2,1-2H3,(H,20,23)(H,21,24)/t13-,15+/m0/s1.
What are the key properties of (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95290519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).