N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide

C29H34N2O — CID 10320283

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32)
InChIKeyDKXNWXXUHISEHY-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.28
Rot. Bonds9

About N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide (PubChem CID 10320283) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
PubChem CID10320283
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32)
InChIKeyDKXNWXXUHISEHY-UHFFFAOYSA-N
XLogP5.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide (CID 10320283) is N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide?
The InChIKey is DKXNWXXUHISEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide has a molecular weight of 426.60 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10320283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).