4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one

C15H22N2O3 — CID 122130954

IUPAC4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one
SMILESCN1CCC(C(=O)N2CC3CC4CC3C2C4O)CC1=O
InChIInChI=1S/C15H22N2O3/c1-16-3-2-8(6-12(16)18)15(20)17-7-10-4-9-5-11(10)13(17)14(9)19/h8-11,13-14,19H,2-7H2,1H3
InChIKeyYASLZDGAFKILTG-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.08
Rot. Bonds1

About 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one

4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one (PubChem CID 122130954) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one
PubChem CID122130954
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one
SMILESCN1CCC(C(=O)N2CC3CC4CC3C2C4O)CC1=O
InChIInChI=1S/C15H22N2O3/c1-16-3-2-8(6-12(16)18)15(20)17-7-10-4-9-5-11(10)13(17)14(9)19/h8-11,13-14,19H,2-7H2,1H3
InChIKeyYASLZDGAFKILTG-UHFFFAOYSA-N
XLogP0.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365065
4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one
CID 154842383
4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride
CID 120572547
N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
CID 114247391
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone
CID 114247390
4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)butan-2-one
CID 130494985
2-[4-(1-methyl-2-oxopiperidine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210388
(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
CID 95585392
5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-5-oxopentanoic acid
CID 114247375
6-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-6-oxohexanoic acid
CID 114247377
(4,5-dibromothiophen-2-yl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone
CID 114247458

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one?
The IUPAC name of 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one (CID 122130954) is 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one?
The canonical SMILES for 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one is CN1CCC(C(=O)N2CC3CC4CC3C2C4O)CC1=O.
What is the InChIKey of 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one?
The InChIKey is YASLZDGAFKILTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-3-2-8(6-12(16)18)15(20)17-7-10-4-9-5-11(10)13(17)14(9)19/h8-11,13-14,19H,2-7H2,1H3.
What are the key properties of 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one?
4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 122130954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).