1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone

C19H35N3O2 — CID 177010579

IUPAC1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(O)(CC(=O)N2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-16(2)21-13-7-19(24,8-14-21)15-17(23)22-11-5-18(6-12-22)3-9-20-10-4-18/h16,20,24H,3-15H2,1-2H3
InChIKeyINYKREIWIUGRSJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.60
Rot. Bonds3

About 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone

1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 177010579) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID177010579
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(O)(CC(=O)N2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-16(2)21-13-7-19(24,8-14-21)15-17(23)22-11-5-18(6-12-22)3-9-20-10-4-18/h16,20,24H,3-15H2,1-2H3
InChIKeyINYKREIWIUGRSJ-UHFFFAOYSA-N
XLogP1.60
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone with MolForge

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Related Compounds

2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 177010300
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-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
2-(1-hydroxycyclobutyl)-1-piperazin-1-ylethanone
CID 82505839
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 97449150
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 154888181
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
N-methyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 155067147

Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone (CID 177010579) is 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)N1CCC(O)(CC(=O)N2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is INYKREIWIUGRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-16(2)21-13-7-19(24,8-14-21)15-17(23)22-11-5-18(6-12-22)3-9-20-10-4-18/h16,20,24H,3-15H2,1-2H3.
What are the key properties of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone?
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 337.51 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 177010579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).