N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide

C17H24N2O2 — CID 78780530

IUPACN-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13(18-14(2)20)17(21)19-10-8-16(9-11-19)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,18,20)
InChIKeyOJCUTHBDCLWJJZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds4

About N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide

N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 78780530) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
PubChem CID78780530
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13(18-14(2)20)17(21)19-10-8-16(9-11-19)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,18,20)
InChIKeyOJCUTHBDCLWJJZ-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071
3-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,1-diethylurea
CID 110348074
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
(2R)-1-(4-benzylpiperidin-1-yl)-2-phenylsulfanylpropan-1-one
CID 2575053
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide (CID 78780530) is N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is OJCUTHBDCLWJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(18-14(2)20)17(21)19-10-8-16(9-11-19)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide?
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 78780530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).