1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

C16H33N3O2 — CID 111505217

IUPAC1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
SMILESCC1CCCN(CC(C)NC(=O)NCCC(O)C(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-12(2)15(20)7-8-17-16(21)18-14(4)11-19-9-5-6-13(3)10-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21)
InChIKeyIHDUKXAKWFSIMO-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.81
Rot. Bonds7

About 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea (PubChem CID 111505217) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
PubChem CID111505217
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
SMILESCC1CCCN(CC(C)NC(=O)NCCC(O)C(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-12(2)15(20)7-8-17-16(21)18-14(4)11-19-9-5-6-13(3)10-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21)
InChIKeyIHDUKXAKWFSIMO-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

3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 60577137
1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110933354
1-(4-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110903659
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 111504648
(2S)-2-hydroxy-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838972
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]morpholine-2-carboxamide
CID 119863275
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
CID 120564985
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea (CID 111505217) is 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea is CC1CCCN(CC(C)NC(=O)NCCC(O)C(C)C)C1.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The InChIKey is IHDUKXAKWFSIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-12(2)15(20)7-8-17-16(21)18-14(4)11-19-9-5-6-13(3)10-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-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-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 111505217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).