2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone

C17H31N3O2 — CID 177010300

IUPAC2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(C)N1CC2(CCN(C(=O)CC3(O)CCNCC3)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-14(2)20-12-16(13-20)5-9-19(10-6-16)15(21)11-17(22)3-7-18-8-4-17/h14,18,22H,3-13H2,1-2H3
InChIKeyKZKVSXGAFZOGBH-UHFFFAOYSA-N
MW309.45 g/mol
LogP0.82
Rot. Bonds3

About 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone

2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 177010300) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
PubChem CID177010300
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(C)N1CC2(CCN(C(=O)CC3(O)CCNCC3)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-14(2)20-12-16(13-20)5-9-19(10-6-16)15(21)11-17(22)3-7-18-8-4-17/h14,18,22H,3-13H2,1-2H3
InChIKeyKZKVSXGAFZOGBH-UHFFFAOYSA-N
XLogP0.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010579
ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane
CID 177011025
2-(propan-2-ylamino)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 156517459
2-(1-hydroxycyclobutyl)-1-piperazin-1-ylethanone
CID 82505839
ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 176934946
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-1-one
CID 165439603
5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 164720078
1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
CID 137433036
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone (CID 177010300) is 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone is CC(C)N1CC2(CCN(C(=O)CC3(O)CCNCC3)CC2)C1.
What is the InChIKey of 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is KZKVSXGAFZOGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14(2)20-12-16(13-20)5-9-19(10-6-16)15(21)11-17(22)3-7-18-8-4-17/h14,18,22H,3-13H2,1-2H3.
What are the key properties of 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 309.45 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 177010300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).