N-(1-benzylpiperidin-4-yl)-2-propylpentanamide

C20H32N2O — CID 778887

IUPACN-(1-benzylpiperidin-4-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H32N2O/c1-3-8-18(9-4-2)20(23)21-19-12-14-22(15-13-19)16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3,(H,21,23)
InChIKeyKOBBXTNLFUYMAG-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.98
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-propylpentanamide

N-(1-benzylpiperidin-4-yl)-2-propylpentanamide (PubChem CID 778887) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-propylpentanamide
PubChem CID778887
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H32N2O/c1-3-8-18(9-4-2)20(23)21-19-12-14-22(15-13-19)16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3,(H,21,23)
InChIKeyKOBBXTNLFUYMAG-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-propylpentanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-propylpentanamide (CID 778887) is N-(1-benzylpiperidin-4-yl)-2-propylpentanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-propylpentanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-propylpentanamide is CCCC(CCC)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-propylpentanamide?
The InChIKey is KOBBXTNLFUYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-8-18(9-4-2)20(23)21-19-12-14-22(15-13-19)16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-propylpentanamide?
N-(1-benzylpiperidin-4-yl)-2-propylpentanamide has a molecular weight of 316.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-propylpentanamide is sourced from PubChem (CID 778887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).