1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea

C15H22N4O2 — CID 119471640

IUPAC1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(=O)N1CCNCC1C
InChIInChI=1S/C15H22N4O2/c1-11-10-16-8-9-19(11)14(20)12(2)17-15(21)18-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3,(H2,17,18,21)
InChIKeyKGGRECSXMBTUCR-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.02
Rot. Bonds3

About 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea

1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea (PubChem CID 119471640) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea
PubChem CID119471640
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(=O)N1CCNCC1C
InChIInChI=1S/C15H22N4O2/c1-11-10-16-8-9-19(11)14(20)12(2)17-15(21)18-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3,(H2,17,18,21)
InChIKeyKGGRECSXMBTUCR-UHFFFAOYSA-N
XLogP1.02
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119473598
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
2-benzylsulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119470581
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119471892
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119473107
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119544633
(2S)-2-(2-bromophenoxy)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 124571324
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119544632

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea (CID 119471640) is 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea is CC(NC(=O)Nc1ccccc1)C(=O)N1CCNCC1C.
What is the InChIKey of 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea?
The InChIKey is KGGRECSXMBTUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-10-16-8-9-19(11)14(20)12(2)17-15(21)18-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea?
1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea has a molecular weight of 290.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea is sourced from PubChem (CID 119471640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).