(10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile

C18H21N5O3 — CID 41473868

IUPAC(10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
SMILESN#C[C@H]1C(=O)NC(N2CCN(C(=O)c3ccco3)CC2)=NC12CCCC2
InChIInChI=1S/C18H21N5O3/c19-12-13-15(24)20-17(21-18(13)5-1-2-6-18)23-9-7-22(8-10-23)16(25)14-4-3-11-26-14/h3-4,11,13H,1-2,5-10H2,(H,20,21,24)/t13-/m0/s1
InChIKeyRRAGATLCANVWOY-ZDUSSCGKSA-N
MW355.40 g/mol
LogP0.98
Rot. Bonds1

About (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile

(10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile (PubChem CID 41473868) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile.

Molecular Properties

Compound Name(10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
PubChem CID41473868
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
SMILESN#C[C@H]1C(=O)NC(N2CCN(C(=O)c3ccco3)CC2)=NC12CCCC2
InChIInChI=1S/C18H21N5O3/c19-12-13-15(24)20-17(21-18(13)5-1-2-6-18)23-9-7-22(8-10-23)16(25)14-4-3-11-26-14/h3-4,11,13H,1-2,5-10H2,(H,20,21,24)/t13-/m0/s1
InChIKeyRRAGATLCANVWOY-ZDUSSCGKSA-N
XLogP0.98
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-1,3-diazaspiro[5.6]dodec-1-ene-5-carbonitrile
CID 41457161
methyl (4S,5S)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41387273
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
(5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
CID 42571209
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
ethyl (4R,5R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41387250
ethyl (4S,5S)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41475848
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 86778300
(5R)-9-methyl-4-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
CID 29102806

Frequently Asked Questions

What is the IUPAC name of (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The IUPAC name of (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile (CID 41473868) is (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile.
What is the SMILES notation for (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The canonical SMILES for (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile is N#C[C@H]1C(=O)NC(N2CCN(C(=O)c3ccco3)CC2)=NC12CCCC2.
What is the InChIKey of (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The InChIKey is RRAGATLCANVWOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O3/c19-12-13-15(24)20-17(21-18(13)5-1-2-6-18)23-9-7-22(8-10-23)16(25)14-4-3-11-26-14/h3-4,11,13H,1-2,5-10H2,(H,20,21,24)/t13-/m0/s1.
What are the key properties of (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
(10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile has a molecular weight of 355.40 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile is sourced from PubChem (CID 41473868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).