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

C21H32N2O2 — CID 113115792

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
SMILESCCCCN(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)=O
InChIInChI=1S/C21H32N2O2/c1-3-4-13-22(18(2)24)16-12-21(25)23-14-10-20(11-15-23)17-19-8-6-5-7-9-19/h5-9,20H,3-4,10-17H2,1-2H3
InChIKeyZINHLEKYPACMDL-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.51
Rot. Bonds8

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

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide (PubChem CID 113115792) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
PubChem CID113115792
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
SMILESCCCCN(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)=O
InChIInChI=1S/C21H32N2O2/c1-3-4-13-22(18(2)24)16-12-21(25)23-14-10-20(11-15-23)17-19-8-6-5-7-9-19/h5-9,20H,3-4,10-17H2,1-2H3
InChIKeyZINHLEKYPACMDL-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
CID 113123069
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-(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
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide (CID 113115792) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide is CCCCN(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)=O.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide?
The InChIKey is ZINHLEKYPACMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-4-13-22(18(2)24)16-12-21(25)23-14-10-20(11-15-23)17-19-8-6-5-7-9-19/h5-9,20H,3-4,10-17H2,1-2H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide has a molecular weight of 344.50 g/mol, XLogP of 3.51, 8 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-butylacetamide is sourced from PubChem (CID 113115792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).