1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C25H32N4O2 — CID 1252576

IUPAC1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c26-24(31)25(29-15-7-2-8-16-29)13-17-28(18-14-25)19-23(30)27-22-12-6-5-11-21(22)20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2,(H2,26,31)(H,27,30)
InChIKeyVSMHGSGLCNLQJA-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.10
Rot. Bonds6

About 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 1252576) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID1252576
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c26-24(31)25(29-15-7-2-8-16-29)13-17-28(18-14-25)19-23(30)27-22-12-6-5-11-21(22)20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2,(H2,26,31)(H,27,30)
InChIKeyVSMHGSGLCNLQJA-UHFFFAOYSA-N
XLogP3.10
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 1252576) is 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is VSMHGSGLCNLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c26-24(31)25(29-15-7-2-8-16-29)13-17-28(18-14-25)19-23(30)27-22-12-6-5-11-21(22)20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2,(H2,26,31)(H,27,30).
What are the key properties of 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1252576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).