1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea

C17H33N3O2 — CID 110028309

IUPAC1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NC(C)C1CCCN(C2CCC2)C1
InChIInChI=1S/C17H33N3O2/c1-3-15(9-11-21)19-17(22)18-13(2)14-6-5-10-20(12-14)16-7-4-8-16/h13-16,21H,3-12H2,1-2H3,(H2,18,19,22)
InChIKeyPTLODTLXFGYINF-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.10
Rot. Bonds7

About 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea

1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea (PubChem CID 110028309) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
PubChem CID110028309
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NC(C)C1CCCN(C2CCC2)C1
InChIInChI=1S/C17H33N3O2/c1-3-15(9-11-21)19-17(22)18-13(2)14-6-5-10-20(12-14)16-7-4-8-16/h13-16,21H,3-12H2,1-2H3,(H2,18,19,22)
InChIKeyPTLODTLXFGYINF-UHFFFAOYSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110028426
3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 97348085
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 110028311
1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111454546
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 84599314
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499738
1-(1-hydroxypentan-3-yl)-3-(3-methylsulfanylcyclohexyl)urea
CID 111455606
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]propanamide
CID 154775986
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea
CID 111454492

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea (CID 110028309) is 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)NC(C)C1CCCN(C2CCC2)C1.
What is the InChIKey of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is PTLODTLXFGYINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-3-15(9-11-21)19-17(22)18-13(2)14-6-5-10-20(12-14)16-7-4-8-16/h13-16,21H,3-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 311.47 g/mol, XLogP of 2.10, 7 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-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 110028309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).