[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea

C20H32N4O2 — CID 51177681

IUPAC[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea
SMILESCC(C)c1ccc(CN2CCN(C(=O)C(NC(N)=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H32N4O2/c1-14(2)17-7-5-16(6-8-17)13-23-9-11-24(12-10-23)19(25)18(15(3)4)22-20(21)26/h5-8,14-15,18H,9-13H2,1-4H3,(H3,21,22,26)
InChIKeyUYAGLNNBOHINBJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.15
Rot. Bonds6

About [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea

[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea (PubChem CID 51177681) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea.

Molecular Properties

Compound Name[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea
PubChem CID51177681
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea
SMILESCC(C)c1ccc(CN2CCN(C(=O)C(NC(N)=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H32N4O2/c1-14(2)17-7-5-16(6-8-17)13-23-9-11-24(12-10-23)19(25)18(15(3)4)22-20(21)26/h5-8,14-15,18H,9-13H2,1-4H3,(H3,21,22,26)
InChIKeyUYAGLNNBOHINBJ-UHFFFAOYSA-N
XLogP2.15
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 112764706
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
[(2S,3S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 9183309
N-[1-[4-[(4-carbamoylphenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 112826598
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044
[(1S)-1-(2-fluorophenyl)-3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]urea
CID 39322980
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 171072925
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801675
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46523708
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 9226292

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea?
The IUPAC name of [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea (CID 51177681) is [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea.
What is the SMILES notation for [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea?
The canonical SMILES for [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea is CC(C)c1ccc(CN2CCN(C(=O)C(NC(N)=O)C(C)C)CC2)cc1.
What is the InChIKey of [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea?
The InChIKey is UYAGLNNBOHINBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-14(2)17-7-5-16(6-8-17)13-23-9-11-24(12-10-23)19(25)18(15(3)4)22-20(21)26/h5-8,14-15,18H,9-13H2,1-4H3,(H3,21,22,26).
What are the key properties of [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea?
[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea has a molecular weight of 360.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea is sourced from PubChem (CID 51177681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).