1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea

C23H33N3O2 — CID 139010914

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
SMILESCc1ccc(C2(CNC(=O)NC3CCN(C(=O)C4CC4)CC3)CCC2)cc1C
InChIInChI=1S/C23H33N3O2/c1-16-4-7-19(14-17(16)2)23(10-3-11-23)15-24-22(28)25-20-8-12-26(13-9-20)21(27)18-5-6-18/h4,7,14,18,20H,3,5-6,8-13,15H2,1-2H3,(H2,24,25,28)
InChIKeyTUNZTXAKFCXBFY-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.43
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea (PubChem CID 139010914) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
PubChem CID139010914
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
SMILESCc1ccc(C2(CNC(=O)NC3CCN(C(=O)C4CC4)CC3)CCC2)cc1C
InChIInChI=1S/C23H33N3O2/c1-16-4-7-19(14-17(16)2)23(10-3-11-23)15-24-22(28)25-20-8-12-26(13-9-20)21(27)18-5-6-18/h4,7,14,18,20H,3,5-6,8-13,15H2,1-2H3,(H2,24,25,28)
InChIKeyTUNZTXAKFCXBFY-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea with MolForge

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Related Compounds

cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea
CID 47186734
1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
CID 166340555
N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide
CID 47041686
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46450682
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 110822175
1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874685
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
4-[2-[[1-(3,4-dimethylphenyl)cyclobutyl]methylamino]-2-oxoethyl]benzenesulfonyl fluoride
CID 138007121

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea (CID 139010914) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea is Cc1ccc(C2(CNC(=O)NC3CCN(C(=O)C4CC4)CC3)CCC2)cc1C.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea?
The InChIKey is TUNZTXAKFCXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16-4-7-19(14-17(16)2)23(10-3-11-23)15-24-22(28)25-20-8-12-26(13-9-20)21(27)18-5-6-18/h4,7,14,18,20H,3,5-6,8-13,15H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea has a molecular weight of 383.54 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 139010914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).