N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide

C22H27ClN2O — CID 70683317

IUPACN-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)CC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O/c1-18(26)25(16-19-5-3-2-4-6-19)17-21-11-13-24(14-12-21)15-20-7-9-22(23)10-8-20/h2-10,21H,11-17H2,1H3
InChIKeyKOAJMZOLFDIMQB-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.60
Rot. Bonds6

About N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide

N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 70683317) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID70683317
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC NameN-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)CC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O/c1-18(26)25(16-19-5-3-2-4-6-19)17-21-11-13-24(14-12-21)15-20-7-9-22(23)10-8-20/h2-10,21H,11-17H2,1H3
InChIKeyKOAJMZOLFDIMQB-UHFFFAOYSA-N
XLogP4.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 70683317) is N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide is CC(=O)N(Cc1ccccc1)CC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is KOAJMZOLFDIMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-18(26)25(16-19-5-3-2-4-6-19)17-21-11-13-24(14-12-21)15-20-7-9-22(23)10-8-20/h2-10,21H,11-17H2,1H3.
What are the key properties of N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide?
N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 370.92 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70683317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).