1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one

C15H26N2O3 — CID 107224856

IUPAC1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(C(=O)N2CCC[C@H](O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-11(2)14(19)16-7-3-5-12(9-16)15(20)17-8-4-6-13(18)10-17/h11-13,18H,3-10H2,1-2H3/t12?,13-/m0/s1
InChIKeyJVAKGVKRWOJSRF-ABLWVSNPSA-N
MW282.38 g/mol
LogP0.86
Rot. Bonds2

About 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 107224856) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID107224856
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(C(=O)N2CCC[C@H](O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-11(2)14(19)16-7-3-5-12(9-16)15(20)17-8-4-6-13(18)10-17/h11-13,18H,3-10H2,1-2H3/t12?,13-/m0/s1
InChIKeyJVAKGVKRWOJSRF-ABLWVSNPSA-N
XLogP0.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43419670
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410
1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 68633970
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one (CID 107224856) is 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(C(=O)N2CCC[C@H](O)C2)C1.
What is the InChIKey of 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is JVAKGVKRWOJSRF-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)14(19)16-7-3-5-12(9-16)15(20)17-8-4-6-13(18)10-17/h11-13,18H,3-10H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 282.38 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 107224856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).