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

C21H24ClN3O2 — CID 9258558

IUPACN-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H24ClN3O2/c1-16(26)18-5-3-7-20(13-18)23-21(27)15-25-10-8-24(9-11-25)14-17-4-2-6-19(22)12-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,27)
InChIKeyIVCWYYVXYZSHHX-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.30
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9258558) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9258558
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H24ClN3O2/c1-16(26)18-5-3-7-20(13-18)23-21(27)15-25-10-8-24(9-11-25)14-17-4-2-6-19(22)12-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,27)
InChIKeyIVCWYYVXYZSHHX-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258738
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)acetamide
CID 55362309
N-(3-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491999
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773116
N-(4-chloro-2-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258674
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 51043444
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-cyanophenyl)acetamide
CID 9258582
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9258213

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide (CID 9258558) is N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is IVCWYYVXYZSHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-16(26)18-5-3-7-20(13-18)23-21(27)15-25-10-8-24(9-11-25)14-17-4-2-6-19(22)12-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,27).
What are the key properties of N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9258558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).