N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

C23H29N3O2 — CID 35204540

IUPACN-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-17(2)19-8-10-20(11-9-19)23(28)26-14-12-25(13-15-26)16-22(27)24-21-7-5-4-6-18(21)3/h4-11,17H,12-16H2,1-3H3,(H,24,27)
InChIKeyWMCDEGVWHMNFHA-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.51
Rot. Bonds5

About N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 35204540) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
PubChem CID35204540
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-17(2)19-8-10-20(11-9-19)23(28)26-14-12-25(13-15-26)16-22(27)24-21-7-5-4-6-18(21)3/h4-11,17H,12-16H2,1-3H3,(H,24,27)
InChIKeyWMCDEGVWHMNFHA-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207173
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35223508
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
N-(2,3-dimethylphenyl)-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738634
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 87014558
4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (CID 35204540) is N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is Cc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is WMCDEGVWHMNFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)19-8-10-20(11-9-19)23(28)26-14-12-25(13-15-26)16-22(27)24-21-7-5-4-6-18(21)3/h4-11,17H,12-16H2,1-3H3,(H,24,27).
What are the key properties of N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35204540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).