1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one

C16H27N3O2 — CID 56869293

IUPAC1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H27N3O2/c20-14-3-1-2-10-19(14)13-15(21)18-11-6-16(7-12-18)4-8-17-9-5-16/h17H,1-13H2
InChIKeyQIBMVQKMBVZOBE-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.99
Rot. Bonds2

About 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one

1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 56869293) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one
PubChem CID56869293
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H27N3O2/c20-14-3-1-2-10-19(14)13-15(21)18-11-6-16(7-12-18)4-8-17-9-5-16/h17H,1-13H2
InChIKeyQIBMVQKMBVZOBE-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119417380
4-hydroxy-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251297
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72869531
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 110689775
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
CID 115874722
1'-[2-(2-oxoazepan-1-yl)acetyl]spiro[2-oxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-8,4'-piperidine]-11-one
CID 133068989
1-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one
CID 118770220
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 154888181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one (CID 56869293) is 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one is O=C(CN1CCCCC1=O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is QIBMVQKMBVZOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-14-3-1-2-10-19(14)13-15(21)18-11-6-16(7-12-18)4-8-17-9-5-16/h17H,1-13H2.
What are the key properties of 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 293.41 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 56869293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).