1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C14H26N2O5 — CID 175806396

IUPAC1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C[C@H](O)[C@H](O)[C@H](O)CO)C2
InChIInChI=1S/C14H26N2O5/c1-10(18)16-4-2-14(3-5-16)8-15(9-14)6-11(19)13(21)12(20)7-17/h11-13,17,19-21H,2-9H2,1H3/t11-,12+,13-/m0/s1
InChIKeyWFABNQLHVFDTNG-XQQFMLRXSA-N
MW302.37 g/mol
LogP-1.99
Rot. Bonds5

About 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 175806396) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID175806396
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C[C@H](O)[C@H](O)[C@H](O)CO)C2
InChIInChI=1S/C14H26N2O5/c1-10(18)16-4-2-14(3-5-16)8-15(9-14)6-11(19)13(21)12(20)7-17/h11-13,17,19-21H,2-9H2,1H3/t11-,12+,13-/m0/s1
InChIKeyWFABNQLHVFDTNG-XQQFMLRXSA-N
XLogP-1.99
TPSA104.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
ethane;1-(7-propyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
CID 176558517
3-(5-azaspiro[2.3]hexan-5-yl)-2-methylpropan-1-ol
CID 104549778
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 123601967
ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 176559306
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
2-[4-[3-[1-(5-chloro-1,3-diazinan-2-yl)piperidin-4-yl]propoxy]-2-fluorocyclohexyl]-1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 171744398
1-[4-(3-hydroxy-2-methylpropyl)-1,4-diazepan-1-yl]ethanone
CID 115872589
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 175806396) is 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is CC(=O)N1CCC2(CC1)CN(C[C@H](O)[C@H](O)[C@H](O)CO)C2.
What is the InChIKey of 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is WFABNQLHVFDTNG-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-10(18)16-4-2-14(3-5-16)8-15(9-14)6-11(19)13(21)12(20)7-17/h11-13,17,19-21H,2-9H2,1H3/t11-,12+,13-/m0/s1.
What are the key properties of 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 302.37 g/mol, XLogP of -1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 175806396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).