N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide

C22H28N2O — CID 99969717

IUPACN,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-23-14-12-19(13-15-23)16-22(25)24(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3
InChIKeyZUDPORLJNUQZLD-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.95
Rot. Bonds6

About N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide

N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99969717) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID99969717
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-23-14-12-19(13-15-23)16-22(25)24(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3
InChIKeyZUDPORLJNUQZLD-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
4-benzyl-1-methylpiperidine;ethane
CID 142009767
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide (CID 99969717) is N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is ZUDPORLJNUQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-23-14-12-19(13-15-23)16-22(25)24(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3.
What are the key properties of N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide?
N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 336.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99969717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).