N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide

C23H38N2O — CID 166634088

IUPACN-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide
SMILESCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C(CC)CC
InChIInChI=1S/C23H38N2O/c1-5-22(6-2)25(23(26)7-3)18-19(4)24-15-13-21(14-16-24)17-20-11-9-8-10-12-20/h8-12,19,21-22H,5-7,13-18H2,1-4H3
InChIKeyZTFQCVVKTUJLKH-UHFFFAOYSA-N
MW358.57 g/mol
LogP4.76
Rot. Bonds9

About N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide (PubChem CID 166634088) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide
PubChem CID166634088
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide
SMILESCCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C(CC)CC
InChIInChI=1S/C23H38N2O/c1-5-22(6-2)25(23(26)7-3)18-19(4)24-15-13-21(14-16-24)17-20-11-9-8-10-12-20/h8-12,19,21-22H,5-7,13-18H2,1-4H3
InChIKeyZTFQCVVKTUJLKH-UHFFFAOYSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide (CID 166634088) is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide is CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C(CC)CC.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide?
The InChIKey is ZTFQCVVKTUJLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O/c1-5-22(6-2)25(23(26)7-3)18-19(4)24-15-13-21(14-16-24)17-20-11-9-8-10-12-20/h8-12,19,21-22H,5-7,13-18H2,1-4H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide?
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide has a molecular weight of 358.57 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 166634088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).