N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide

C20H23N3O2 — CID 21465540

IUPACN-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)22-20(25)21-18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,21,22,24,25)
InChIKeyVVQSDIAXLRLSBM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.79
Rot. Bonds4

About N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide

N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide (PubChem CID 21465540) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide
PubChem CID21465540
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)22-20(25)21-18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,21,22,24,25)
InChIKeyVVQSDIAXLRLSBM-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide (CID 21465540) is N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide?
The InChIKey is VVQSDIAXLRLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(17-9-5-2-6-10-17)22-20(25)21-18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,21,22,24,25).
What are the key properties of N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide?
N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)carbamoyl]benzamide is sourced from PubChem (CID 21465540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).