1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide

C23H27N3O3 — CID 46387250

IUPAC1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1
InChIInChI=1S/C23H27N3O3/c1-16(2)24-22(28)19-11-7-13-26(15-19)23(29)18-10-6-12-20(14-18)25-21(27)17-8-4-3-5-9-17/h3-6,8-10,12,14,16,19H,7,11,13,15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyVEBWIDDJKORZTJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.32
Rot. Bonds5

About 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 46387250) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID46387250
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1
InChIInChI=1S/C23H27N3O3/c1-16(2)24-22(28)19-11-7-13-26(15-19)23(29)18-10-6-12-20(14-18)25-21(27)17-8-4-3-5-9-17/h3-6,8-10,12,14,16,19H,7,11,13,15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyVEBWIDDJKORZTJ-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 46387250) is 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)C1.
What is the InChIKey of 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is VEBWIDDJKORZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(2)24-22(28)19-11-7-13-26(15-19)23(29)18-10-6-12-20(14-18)25-21(27)17-8-4-3-5-9-17/h3-6,8-10,12,14,16,19H,7,11,13,15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46387250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).