1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

C17H27N3O — CID 6470893

IUPAC1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCc1cccc(NC(=O)NC2CCN(C(C)C)CC2)c1C
InChIInChI=1S/C17H27N3O/c1-12(2)20-10-8-15(9-11-20)18-17(21)19-16-7-5-6-13(3)14(16)4/h5-7,12,15H,8-11H2,1-4H3,(H2,18,19,21)
InChIKeyKHPIJEBTWKYXAH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (PubChem CID 6470893) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
PubChem CID6470893
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCc1cccc(NC(=O)NC2CCN(C(C)C)CC2)c1C
InChIInChI=1S/C17H27N3O/c1-12(2)20-10-8-15(9-11-20)18-17(21)19-16-7-5-6-13(3)14(16)4/h5-7,12,15H,8-11H2,1-4H3,(H2,18,19,21)
InChIKeyKHPIJEBTWKYXAH-UHFFFAOYSA-N
XLogP3.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzoic acid
CID 43737247
N-(2,3-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 136519756
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389
1-(5-chloro-2-piperidin-1-ylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 112824885
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 166532520
1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea
CID 71991924

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (CID 6470893) is 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is Cc1cccc(NC(=O)NC2CCN(C(C)C)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The InChIKey is KHPIJEBTWKYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)20-10-8-15(9-11-20)18-17(21)19-16-7-5-6-13(3)14(16)4/h5-7,12,15H,8-11H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea has a molecular weight of 289.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 6470893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).