N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide

C22H34N2O2 — CID 113123069

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
SMILESCCCCCN(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)=O
InChIInChI=1S/C22H34N2O2/c1-3-4-8-14-23(19(2)25)17-13-22(26)24-15-11-21(12-16-24)18-20-9-6-5-7-10-20/h5-7,9-10,21H,3-4,8,11-18H2,1-2H3
InChIKeyACGPSHRWNPYMOL-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.90
Rot. Bonds9

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide (PubChem CID 113123069) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
PubChem CID113123069
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
SMILESCCCCCN(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)=O
InChIInChI=1S/C22H34N2O2/c1-3-4-8-14-23(19(2)25)17-13-22(26)24-15-11-21(12-16-24)18-20-9-6-5-7-10-20/h5-7,9-10,21H,3-4,8,11-18H2,1-2H3
InChIKeyACGPSHRWNPYMOL-UHFFFAOYSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
CID 113115792
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120225
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
CID 113123058
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)acetamide
CID 113124191
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide
CID 42703671
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide (CID 113123069) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide is CCCCCN(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)=O.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide?
The InChIKey is ACGPSHRWNPYMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-3-4-8-14-23(19(2)25)17-13-22(26)24-15-11-21(12-16-24)18-20-9-6-5-7-10-20/h5-7,9-10,21H,3-4,8,11-18H2,1-2H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide has a molecular weight of 358.53 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide is sourced from PubChem (CID 113123069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).