7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C19H30N4O — CID 45228294

IUPAC7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCCCC2)CCCC12CCN(Cc1ncc[nH]1)C2
InChIInChI=1S/C19H30N4O/c24-18-19(8-12-22(15-19)14-17-20-9-10-21-17)7-4-11-23(18)13-16-5-2-1-3-6-16/h9-10,16H,1-8,11-15H2,(H,20,21)
InChIKeyNDUXRJXEEXEMTB-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.80
Rot. Bonds4

About 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45228294) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45228294
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCCCC2)CCCC12CCN(Cc1ncc[nH]1)C2
InChIInChI=1S/C19H30N4O/c24-18-19(8-12-22(15-19)14-17-20-9-10-21-17)7-4-11-23(18)13-16-5-2-1-3-6-16/h9-10,16H,1-8,11-15H2,(H,20,21)
InChIKeyNDUXRJXEEXEMTB-UHFFFAOYSA-N
XLogP2.80
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
(4aS*,8aR*)-6-(1H-imidazol-2-ylmethyl)-1-isobutyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906800
8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70777182
8-(1H-Imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72852965
8-(1H-imidazol-2-ylmethyl)-2-(3-methyl-2-buten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 72867383
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
(4aS,8aS)-N-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-2-oxo-4,5,6,7,8,8a-hexahydro-3H-quinoline-4a-carboxamide
CID 91925233
(5S)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401862
1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 71927379
4-(1H-imidazol-2-yl)-1-(pyrrolidin-3-ylacetyl)piperidine
CID 77094981
(5S)-7-(cyclohexylmethyl)-2-[(1-ethylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 92404938
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(1H-imidazol-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45228294) is 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCCCC2)CCCC12CCN(Cc1ncc[nH]1)C2.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NDUXRJXEEXEMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c24-18-19(8-12-22(15-19)14-17-20-9-10-21-17)7-4-11-23(18)13-16-5-2-1-3-6-16/h9-10,16H,1-8,11-15H2,(H,20,21).
What are the key properties of 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45228294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).