N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

C23H25ClN4O2 — CID 35207918

IUPACN-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCC(C)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-16(2)17-3-5-18(6-4-17)23(30)28-11-9-27(10-12-28)15-22(29)26-20-8-7-19(14-25)21(24)13-20/h3-8,13,16H,9-12,15H2,1-2H3,(H,26,29)
InChIKeyAFWBFNLOJXYWFA-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.73
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 35207918) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
PubChem CID35207918
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCC(C)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-16(2)17-3-5-18(6-4-17)23(30)28-11-9-27(10-12-28)15-22(29)26-20-8-7-19(14-25)21(24)13-20/h3-8,13,16H,9-12,15H2,1-2H3,(H,26,29)
InChIKeyAFWBFNLOJXYWFA-UHFFFAOYSA-N
XLogP3.73
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35223508
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
N-(3-chloro-4-cyanophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46807779
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698398
(2S)-N-(3-chloro-4-cyanophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30956056
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (CID 35207918) is N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is CC(C)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is AFWBFNLOJXYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16(2)17-3-5-18(6-4-17)23(30)28-11-9-27(10-12-28)15-22(29)26-20-8-7-19(14-25)21(24)13-20/h3-8,13,16H,9-12,15H2,1-2H3,(H,26,29).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 424.93 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35207918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).