4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide

C21H26N4O2 — CID 87000001

IUPAC4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-17-7-5-6-8-18(17)15-22-21(27)25-13-11-24(12-14-25)16-20(26)23-19-9-3-2-4-10-19/h2-10H,11-16H2,1H3,(H,22,27)(H,23,26)
InChIKeyLZPAXQWXDCCANN-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.46
Rot. Bonds5

About 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide

4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 87000001) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID87000001
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-17-7-5-6-8-18(17)15-22-21(27)25-13-11-24(12-14-25)16-20(26)23-19-9-3-2-4-10-19/h2-10H,11-16H2,1H3,(H,22,27)(H,23,26)
InChIKeyLZPAXQWXDCCANN-UHFFFAOYSA-N
XLogP2.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 30723158
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
N-(4-fluorophenyl)-2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737327
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 9257290

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 87000001) is 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccccc1CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is LZPAXQWXDCCANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17-7-5-6-8-18(17)15-22-21(27)25-13-11-24(12-14-25)16-20(26)23-19-9-3-2-4-10-19/h2-10H,11-16H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 87000001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).