1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide

C23H29N3O2 — CID 131895161

IUPAC1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2(c3ccccc3)CCN(C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-4-21(27)24-19-11-10-17(2)20(16-19)25-22(28)23(12-14-26(3)15-13-23)18-8-6-5-7-9-18/h5-11,16H,4,12-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyGIXKYBRZAGJIRE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.95
Rot. Bonds5

About 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide

1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 131895161) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide
PubChem CID131895161
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2(c3ccccc3)CCN(C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-4-21(27)24-19-11-10-17(2)20(16-19)25-22(28)23(12-14-26(3)15-13-23)18-8-6-5-7-9-18/h5-11,16H,4,12-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyGIXKYBRZAGJIRE-UHFFFAOYSA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide (CID 131895161) is 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)C2(c3ccccc3)CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is GIXKYBRZAGJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-21(27)24-19-11-10-17(2)20(16-19)25-22(28)23(12-14-26(3)15-13-23)18-8-6-5-7-9-18/h5-11,16H,4,12-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide?
1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 131895161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).