2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide

C19H22ClN3O — CID 4818731

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C19H22ClN3O/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h2-9,14H,10-13,15H2,1H3
InChIKeyIVMVJMMUNDFQOX-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.12
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 4818731) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID4818731
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C19H22ClN3O/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h2-9,14H,10-13,15H2,1H3
InChIKeyIVMVJMMUNDFQOX-UHFFFAOYSA-N
XLogP3.12
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78782366
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide (CID 4818731) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is IVMVJMMUNDFQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 343.86 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 4818731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).