N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide

C20H24N4O3 — CID 53370700

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-27-18-9-5-6-16(14-18)22-19(25)15-21-20(26)24-12-10-23(11-13-24)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,26)(H,22,25)
InChIKeyYMQWAQWRAWYOKO-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 53370700) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
PubChem CID53370700
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-27-18-9-5-6-16(14-18)22-19(25)15-21-20(26)24-12-10-23(11-13-24)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,26)(H,22,25)
InChIKeyYMQWAQWRAWYOKO-UHFFFAOYSA-N
XLogP2.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(4-fluorophenyl)-2-[[C-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetamide
CID 111291193
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
N-(3-fluorophenyl)-2-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]acetamide
CID 110961227
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N,4-bis(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3839532

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide (CID 53370700) is N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide is COc1cccc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is YMQWAQWRAWYOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-9-5-6-16(14-18)22-19(25)15-21-20(26)24-12-10-23(11-13-24)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 53370700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).