1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea

C25H32N4O3 — CID 55974794

IUPAC1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-17(2)19-9-11-20(12-10-19)23(30)28-13-15-29(16-14-28)24(31)21-7-5-6-8-22(21)27-25(32)26-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,26,27,32)
InChIKeyLWKHXKZZMOFXGH-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.94
Rot. Bonds5

About 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea

1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea (PubChem CID 55974794) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
PubChem CID55974794
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-17(2)19-9-11-20(12-10-19)23(30)28-13-15-29(16-14-28)24(31)21-7-5-6-8-22(21)27-25(32)26-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,26,27,32)
InChIKeyLWKHXKZZMOFXGH-UHFFFAOYSA-N
XLogP3.94
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 51281374
N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207173
phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
CID 38031441
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55438541
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
CID 43903864
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119542097
2-acetamido-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 78773400

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea (CID 55974794) is 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea is CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea?
The InChIKey is LWKHXKZZMOFXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(2)19-9-11-20(12-10-19)23(30)28-13-15-29(16-14-28)24(31)21-7-5-6-8-22(21)27-25(32)26-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,26,27,32).
What are the key properties of 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea?
1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea has a molecular weight of 436.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 55974794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).