1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

C16H31N3O2 — CID 110933354

IUPAC1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
SMILESCC1CCCN(CC(C)NC(=O)NC2CCCCC2O)C1
InChIInChI=1S/C16H31N3O2/c1-12-6-5-9-19(10-12)11-13(2)17-16(21)18-14-7-3-4-8-15(14)20/h12-15,20H,3-11H2,1-2H3,(H2,17,18,21)
InChIKeyKKPSSZIQPFDYPL-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.71
Rot. Bonds4

About 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea (PubChem CID 110933354) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
PubChem CID110933354
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
SMILESCC1CCCN(CC(C)NC(=O)NC2CCCCC2O)C1
InChIInChI=1S/C16H31N3O2/c1-12-6-5-9-19(10-12)11-13(2)17-16(21)18-14-7-3-4-8-15(14)20/h12-15,20H,3-11H2,1-2H3,(H2,17,18,21)
InChIKeyKKPSSZIQPFDYPL-UHFFFAOYSA-N
XLogP1.71
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110903659
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 111505217
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
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
CID 120564985
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea
CID 124618076
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea (CID 110933354) is 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea is CC1CCCN(CC(C)NC(=O)NC2CCCCC2O)C1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The InChIKey is KKPSSZIQPFDYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12-6-5-9-19(10-12)11-13(2)17-16(21)18-14-7-3-4-8-15(14)20/h12-15,20H,3-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea has a molecular weight of 297.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 110933354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).