8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H36N4O — CID 70763333

IUPAC8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(CCCC3CCCC3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C22H36N4O/c27-21-8-11-22(17-26(21)14-9-20-15-23-18-24-20)10-4-13-25(16-22)12-3-7-19-5-1-2-6-19/h15,18-19H,1-14,16-17H2,(H,23,24)
InChIKeyNFKGLVSDRCSCEE-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.63
Rot. Bonds7

About 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70763333) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70763333
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(CCCC3CCCC3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C22H36N4O/c27-21-8-11-22(17-26(21)14-9-20-15-23-18-24-20)10-4-13-25(16-22)12-3-7-19-5-1-2-6-19/h15,18-19H,1-14,16-17H2,(H,23,24)
InChIKeyNFKGLVSDRCSCEE-UHFFFAOYSA-N
XLogP3.63
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetic acid
CID 96573844
(6S)-8-(2-cyclopentylacetyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97113570
8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744882
8-[[5-(hydroxymethyl)furan-2-yl]methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72938453
(6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96580678
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97153299
2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70750354
2-[2-(1H-imidazol-5-yl)ethyl]-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72921955
3-[[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzonitrile
CID 97146222
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96581260
(6S)-8-[(2-fluoro-4-methoxyphenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96573148
8-[(2-fluoro-4-methoxyphenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70719508

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70763333) is 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(CCCC3CCCC3)C2)CN1CCc1cnc[nH]1.
What is the InChIKey of 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NFKGLVSDRCSCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c27-21-8-11-22(17-26(21)14-9-20-15-23-18-24-20)10-4-13-25(16-22)12-3-7-19-5-1-2-6-19/h15,18-19H,1-14,16-17H2,(H,23,24).
What are the key properties of 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.56 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70763333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).