3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C23H29N3O3 — CID 42865487

IUPAC3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)NC(C)C)C2)c1
InChIInChI=1S/C23H29N3O3/c1-16(2)24-23(28)26-14-18(17-8-5-4-6-9-17)12-19(15-26)22(27)25-20-10-7-11-21(13-20)29-3/h4-11,13,16,18-19H,12,14-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyHMIRWAQWBVCAOF-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.86
Rot. Bonds5

About 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 42865487) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID42865487
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)NC(C)C)C2)c1
InChIInChI=1S/C23H29N3O3/c1-16(2)24-23(28)26-14-18(17-8-5-4-6-9-17)12-19(15-26)22(27)25-20-10-7-11-21(13-20)29-3/h4-11,13,16,18-19H,12,14-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyHMIRWAQWBVCAOF-UHFFFAOYSA-N
XLogP3.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 46069425
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424
1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 42865383
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46065416
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868408
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999274
(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1260369

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 42865487) is 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is COc1cccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)NC(C)C)C2)c1.
What is the InChIKey of 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is HMIRWAQWBVCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)24-23(28)26-14-18(17-8-5-4-6-9-17)12-19(15-26)22(27)25-20-10-7-11-21(13-20)29-3/h4-11,13,16,18-19H,12,14-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42865487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).