3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one

C15H28N2O3 — CID 62092504

IUPAC3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one
SMILESCC1CCCC(OCC(O)CNC2CCCNC2=O)C1
InChIInChI=1S/C15H28N2O3/c1-11-4-2-5-13(8-11)20-10-12(18)9-17-14-6-3-7-16-15(14)19/h11-14,17-18H,2-10H2,1H3,(H,16,19)
InChIKeyYQFAKWCXBRQLJU-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.81
Rot. Bonds6

About 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one

3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one (PubChem CID 62092504) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one
PubChem CID62092504
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one
SMILESCC1CCCC(OCC(O)CNC2CCCNC2=O)C1
InChIInChI=1S/C15H28N2O3/c1-11-4-2-5-13(8-11)20-10-12(18)9-17-14-6-3-7-16-15(14)19/h11-14,17-18H,2-10H2,1H3,(H,16,19)
InChIKeyYQFAKWCXBRQLJU-UHFFFAOYSA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-[(1,1-dioxothiolan-3-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633977
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
CID 62093953
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
CID 62094325
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
CID 61219988
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one?
The IUPAC name of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one (CID 62092504) is 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one is CC1CCCC(OCC(O)CNC2CCCNC2=O)C1.
What is the InChIKey of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one?
The InChIKey is YQFAKWCXBRQLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-4-2-5-13(8-11)20-10-12(18)9-17-14-6-3-7-16-15(14)19/h11-14,17-18H,2-10H2,1H3,(H,16,19).
What are the key properties of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one?
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one has a molecular weight of 284.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one is sourced from PubChem (CID 62092504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).