4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide

C21H26N4O2 — CID 113107336

IUPAC4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)NC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-16(18-6-4-3-5-7-18)22-21(27)25-14-12-24(13-15-25)20-10-8-19(9-11-20)23-17(2)26/h3-11,16H,12-15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyOULICWXJRWPXEP-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.24
Rot. Bonds4

About 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide

4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide (PubChem CID 113107336) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
PubChem CID113107336
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)NC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-16(18-6-4-3-5-7-18)22-21(27)25-14-12-24(13-15-25)20-10-8-19(9-11-20)23-17(2)26/h3-11,16H,12-15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyOULICWXJRWPXEP-UHFFFAOYSA-N
XLogP3.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
4-(4-acetylphenyl)-N-[1-(3-bromophenyl)ethyl]piperazine-1-carboxamide
CID 55590034
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-[4-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide
CID 110406324

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide (CID 113107336) is 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide is CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The InChIKey is OULICWXJRWPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16(18-6-4-3-5-7-18)22-21(27)25-14-12-24(13-15-25)20-10-8-19(9-11-20)23-17(2)26/h3-11,16H,12-15H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113107336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).