1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea

C22H28N4O2 — CID 27841214

IUPAC1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
SMILESCc1ccccc1CN1CCN(C(=O)CNC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-18-7-5-6-10-20(18)17-25-11-13-26(14-12-25)21(27)16-24-22(28)23-15-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H2,23,24,28)
InChIKeyOBYFILZNWHRBPC-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.14
Rot. Bonds6

About 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea

1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea (PubChem CID 27841214) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
PubChem CID27841214
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
SMILESCc1ccccc1CN1CCN(C(=O)CNC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-18-7-5-6-10-20(18)17-25-11-13-26(14-12-25)21(27)16-24-22(28)23-15-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H2,23,24,28)
InChIKeyOBYFILZNWHRBPC-UHFFFAOYSA-N
XLogP2.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 17439386
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
1-benzyl-3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]urea
CID 42572867
1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
CID 9162618
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
1-benzyl-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951505
1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 39581113
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
CID 108996100
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
1-benzyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]urea
CID 46555188

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea (CID 27841214) is 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea is Cc1ccccc1CN1CCN(C(=O)CNC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is OBYFILZNWHRBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-18-7-5-6-10-20(18)17-25-11-13-26(14-12-25)21(27)16-24-22(28)23-15-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H2,23,24,28).
What are the key properties of 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea?
1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 380.49 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 27841214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).