1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea

C19H37N3O2 — CID 110028311

IUPAC1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
SMILESCC(NC(=O)NCCCC(C)(C)CO)C1CCCN(C2CCC2)C1
InChIInChI=1S/C19H37N3O2/c1-15(16-7-5-12-22(13-16)17-8-4-9-17)21-18(24)20-11-6-10-19(2,3)14-23/h15-17,23H,4-14H2,1-3H3,(H2,20,21,24)
InChIKeyXQSWULKYQAMRSP-UHFFFAOYSA-N
MW339.52 g/mol
LogP2.74
Rot. Bonds8

About 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea

1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea (PubChem CID 110028311) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea.

Molecular Properties

Compound Name1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
PubChem CID110028311
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
SMILESCC(NC(=O)NCCCC(C)(C)CO)C1CCCN(C2CCC2)C1
InChIInChI=1S/C19H37N3O2/c1-15(16-7-5-12-22(13-16)17-8-4-9-17)21-18(24)20-11-6-10-19(2,3)14-23/h15-17,23H,4-14H2,1-3H3,(H2,20,21,24)
InChIKeyXQSWULKYQAMRSP-UHFFFAOYSA-N
XLogP2.74
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110028426
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 110028309
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 84599314
3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 97348085
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
CID 109395540
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111503992
1-(4-ethylcyclohexyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111505061
(2S,6S)-N-(5-hydroxy-4,4-dimethylpentyl)-2,6-dimethylazepane-1-carboxamide
CID 97048775
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]butanamide
CID 97262392
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]propanamide
CID 97262415
3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
CID 71922247

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The IUPAC name of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea (CID 110028311) is 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea.
What is the SMILES notation for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The canonical SMILES for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea is CC(NC(=O)NCCCC(C)(C)CO)C1CCCN(C2CCC2)C1.
What is the InChIKey of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea?
The InChIKey is XQSWULKYQAMRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-15(16-7-5-12-22(13-16)17-8-4-9-17)21-18(24)20-11-6-10-19(2,3)14-23/h15-17,23H,4-14H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea?
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea has a molecular weight of 339.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea is sourced from PubChem (CID 110028311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).