1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea

C16H33N3O2 — CID 111111407

IUPAC1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
SMILESCCC(C)C(C)NC(=O)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C16H33N3O2/c1-5-13(3)14(4)18-16(21)17-10-15(20)11-19-8-6-12(2)7-9-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21)
InChIKeyLTZPLHCENSLKQV-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.81
Rot. Bonds7

About 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea

1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea (PubChem CID 111111407) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
PubChem CID111111407
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
SMILESCCC(C)C(C)NC(=O)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C16H33N3O2/c1-5-13(3)14(4)18-16(21)17-10-15(20)11-19-8-6-12(2)7-9-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21)
InChIKeyLTZPLHCENSLKQV-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362
2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 111422434
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020943
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111111417
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 111454418
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 111111295
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111509367

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea?
The IUPAC name of 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea (CID 111111407) is 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea?
The canonical SMILES for 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea is CCC(C)C(C)NC(=O)NCC(O)CN1CCC(C)CC1.
What is the InChIKey of 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea?
The InChIKey is LTZPLHCENSLKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-13(3)14(4)18-16(21)17-10-15(20)11-19-8-6-12(2)7-9-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea?
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea has a molecular weight of 299.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea is sourced from PubChem (CID 111111407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).