2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H33N5O2 — CID 72842052

IUPAC2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncn(CC(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1C
InChIInChI=1S/C20H33N5O2/c1-16-17(2)25(15-21-16)13-19(27)23-9-7-20(8-10-23)6-5-18(26)24(14-20)12-11-22(3)4/h15H,5-14H2,1-4H3
InChIKeyKYMUGGDVOPIKCS-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72842052) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72842052
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncn(CC(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1C
InChIInChI=1S/C20H33N5O2/c1-16-17(2)25(15-21-16)13-19(27)23-9-7-20(8-10-23)6-5-18(26)24(14-20)12-11-22(3)4/h15H,5-14H2,1-4H3
InChIKeyKYMUGGDVOPIKCS-UHFFFAOYSA-N
XLogP1.29
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(cyclobutylmethyl)-2-[(4,5-dimethyl-1H-imidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72932839
(3S)-1-[(2S)-1-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685714
(3S)-1-[1-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685715
(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685962
(3S)-1-[1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685963
(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685972
(3S)-1-[4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685973
1-[2-[4-[(4,5-Dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
CID 172611585
(4aS*,8aR*)-6-[(4,5-dimethyl-1H-imidazol-1-yl)acetyl]-1-(3-methylbutyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70714150
9-[(3-Cyclohexylimidazol-4-yl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70728366
9-[(1-ethyl-1H-imidazol-5-yl)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70787864
2-(4,5-Dimethylimidazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 72015103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72842052) is 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ncn(CC(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KYMUGGDVOPIKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-16-17(2)25(15-21-16)13-19(27)23-9-7-20(8-10-23)6-5-18(26)24(14-20)12-11-22(3)4/h15H,5-14H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 375.52 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72842052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).