N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide

C14H20ClN3O — CID 125463892

IUPACN-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(C)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O/c1-11(19)16-9-14-10-17(2)7-8-18(14)13-5-3-12(15)4-6-13/h3-6,14H,7-10H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyGKNYQXZSZWZCOU-CQSZACIVSA-N
MW281.79 g/mol
LogP1.60
Rot. Bonds3

About N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide

N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide (PubChem CID 125463892) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide
PubChem CID125463892
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(C)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O/c1-11(19)16-9-14-10-17(2)7-8-18(14)13-5-3-12(15)4-6-13/h3-6,14H,7-10H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyGKNYQXZSZWZCOU-CQSZACIVSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 166429844
2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897211
N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide
CID 167954125
7-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 100881292
3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680
[4-methyl-1-(4-nitrophenyl)piperazin-2-yl]methanol
CID 155147218
2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide
CID 69355303
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
methyl 2-[1-(4-chlorophenyl)piperazin-2-yl]acetate
CID 23137063
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide (CID 125463892) is N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1CN(C)CCN1c1ccc(Cl)cc1.
What is the InChIKey of N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide?
The InChIKey is GKNYQXZSZWZCOU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-11(19)16-9-14-10-17(2)7-8-18(14)13-5-3-12(15)4-6-13/h3-6,14H,7-10H2,1-2H3,(H,16,19)/t14-/m1/s1.
What are the key properties of N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide?
N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(4-chlorophenyl)-4-methylpiperazin-2-yl]methyl]acetamide is sourced from PubChem (CID 125463892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).