1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea

C19H28N4O3 — CID 55678475

IUPAC1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea
SMILESCc1cccc(NC(=O)NCC(=O)N2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C19H28N4O3/c1-15-4-2-5-16(12-15)21-19(25)20-13-18(24)23-9-7-22(8-10-23)14-17-6-3-11-26-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H2,20,21,25)
InChIKeyCKZGBJVRJFTISM-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.44
Rot. Bonds5

About 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea

1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea (PubChem CID 55678475) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea
PubChem CID55678475
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea
SMILESCc1cccc(NC(=O)NCC(=O)N2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C19H28N4O3/c1-15-4-2-5-16(12-15)21-19(25)20-13-18(24)23-9-7-22(8-10-23)14-17-6-3-11-26-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H2,20,21,25)
InChIKeyCKZGBJVRJFTISM-UHFFFAOYSA-N
XLogP1.44
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea with MolForge

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Related Compounds

1-(3-methylphenyl)-3-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]urea
CID 55678721
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95311462
1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119353854
2-(4-acetylanilino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 71140798
4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 56826993
2-methyl-N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 134012928
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea;hydrochloride
CID 119664508
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
CID 53138083

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea (CID 55678475) is 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea is Cc1cccc(NC(=O)NCC(=O)N2CCN(CC3CCCO3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea?
The InChIKey is CKZGBJVRJFTISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-15-4-2-5-16(12-15)21-19(25)20-13-18(24)23-9-7-22(8-10-23)14-17-6-3-11-26-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H2,20,21,25).
What are the key properties of 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea?
1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea has a molecular weight of 360.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea is sourced from PubChem (CID 55678475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).