N-[(1-benzylpiperidin-3-yl)methyl]acetamide

C15H22N2O — CID 10444612

IUPACN-[(1-benzylpiperidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-13(18)16-10-15-8-5-9-17(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,16,18)
InChIKeyHFJVQKFQGDMYEC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.03
Rot. Bonds4

About N-[(1-benzylpiperidin-3-yl)methyl]acetamide

N-[(1-benzylpiperidin-3-yl)methyl]acetamide (PubChem CID 10444612) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]acetamide
PubChem CID10444612
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-13(18)16-10-15-8-5-9-17(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,16,18)
InChIKeyHFJVQKFQGDMYEC-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
CID 95219246
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
tert-butyl 4-[[(3S)-3-(acetamidomethyl)piperidin-1-yl]methyl]benzoate
CID 99702492
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]acetamide (CID 10444612) is N-[(1-benzylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]acetamide is CC(=O)NCC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]acetamide?
The InChIKey is HFJVQKFQGDMYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(18)16-10-15-8-5-9-17(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,16,18).
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]acetamide?
N-[(1-benzylpiperidin-3-yl)methyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 10444612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).