1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea

C17H26N4O2 — CID 112994427

IUPAC1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)NC(C)C)CC2)c1
InChIInChI=1S/C17H26N4O2/c1-13(2)19-17(23)18-12-16(22)21-9-7-20(8-10-21)15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H2,18,19,23)
InChIKeyXBOJLPWHIRTLHJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea

1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea (PubChem CID 112994427) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
PubChem CID112994427
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)NC(C)C)CC2)c1
InChIInChI=1S/C17H26N4O2/c1-13(2)19-17(23)18-12-16(22)21-9-7-20(8-10-21)15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H2,18,19,23)
InChIKeyXBOJLPWHIRTLHJ-UHFFFAOYSA-N
XLogP1.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutylamino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004007
2-(3-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004018
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
CID 113097711
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097571
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 25398392
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994410
1-butylsulfonyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]formamide
CID 113097572
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970450

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea (CID 112994427) is 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea is Cc1cccc(N2CCN(C(=O)CNC(=O)NC(C)C)CC2)c1.
What is the InChIKey of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea?
The InChIKey is XBOJLPWHIRTLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)19-17(23)18-12-16(22)21-9-7-20(8-10-21)15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H2,18,19,23).
What are the key properties of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea?
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea has a molecular weight of 318.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea is sourced from PubChem (CID 112994427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).