3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one

C12H24N2O3 — CID 45190640

IUPAC3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CNC(C)C)C1=O
InChIInChI=1S/C12H24N2O3/c1-10(2)13-9-12(16)5-4-6-14(11(12)15)7-8-17-3/h10,13,16H,4-9H2,1-3H3
InChIKeyGTDBVXBFTRQZHZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.02
Rot. Bonds6

About 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one

3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one (PubChem CID 45190640) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one
PubChem CID45190640
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CNC(C)C)C1=O
InChIInChI=1S/C12H24N2O3/c1-10(2)13-9-12(16)5-4-6-14(11(12)15)7-8-17-3/h10,13,16H,4-9H2,1-3H3
InChIKeyGTDBVXBFTRQZHZ-UHFFFAOYSA-N
XLogP-0.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 26391310
1-(2-cyclohexylethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45235783
(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 25381737
(3R)-3-hydroxy-1-(2-methoxyethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95202671
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56755449
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 95210577
(3R)-3-hydroxy-3-[(propan-2-ylamino)methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 42595055
3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56755558
3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56715782
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one
CID 95228250
4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one
CID 95204131
(3R)-3-hydroxy-1-(2-methoxyethyl)-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-2-one
CID 95204531

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one (CID 45190640) is 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one is COCCN1CCCC(O)(CNC(C)C)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one?
The InChIKey is GTDBVXBFTRQZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(2)13-9-12(16)5-4-6-14(11(12)15)7-8-17-3/h10,13,16H,4-9H2,1-3H3.
What are the key properties of 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one?
3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one has a molecular weight of 244.33 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one is sourced from PubChem (CID 45190640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).