1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one

C16H26N4O — CID 56760278

IUPAC1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC2(CCNC2)C1
InChIInChI=1S/C16H26N4O/c1-2-14-18-8-11-19(14)10-4-15(21)20-9-3-5-16(13-20)6-7-17-12-16/h8,11,17H,2-7,9-10,12-13H2,1H3
InChIKeyYUENBKAKSCNWGP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.44
Rot. Bonds4

About 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one

1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one (PubChem CID 56760278) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one
PubChem CID56760278
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC2(CCNC2)C1
InChIInChI=1S/C16H26N4O/c1-2-14-18-8-11-19(14)10-4-15(21)20-9-3-5-16(13-20)6-7-17-12-16/h8,11,17H,2-7,9-10,12-13H2,1H3
InChIKeyYUENBKAKSCNWGP-UHFFFAOYSA-N
XLogP1.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,7-diazaspiro[4.5]decan-7-yl)-2-(2-ethylimidazol-1-yl)ethanone
CID 56746292
3-(2-ethylimidazol-1-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97115570
(5R)-7-(cyclopropylmethyl)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424303
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 95227903
2,7-diazaspiro[4.5]decan-7-yl-(3-ethyl-4-pyridinyl)methanone
CID 154762707
8-[2-(2-ethylimidazol-1-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745324
3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 56744644
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
(9aR)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95126514
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one
CID 124954504

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one (CID 56760278) is 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one is CCc1nccn1CCC(=O)N1CCCC2(CCNC2)C1.
What is the InChIKey of 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one?
The InChIKey is YUENBKAKSCNWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-14-18-8-11-19(14)10-4-15(21)20-9-3-5-16(13-20)6-7-17-12-16/h8,11,17H,2-7,9-10,12-13H2,1H3.
What are the key properties of 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one?
1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 56760278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).