(5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H29N3O3 — CID 97128860

IUPAC(5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)c(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c[nH]1
InChIInChI=1S/C21H29N3O3/c1-15-12-18(25)17(13-22-15)19(26)23-11-9-21(14-23)8-5-10-24(20(21)27)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3,(H,22,25)/t21-/m0/s1
InChIKeyCUCCCNZAJNGESM-NRFANRHFSA-N
MW371.48 g/mol
LogP2.47
Rot. Bonds2

About (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97128860) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97128860
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)c(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c[nH]1
InChIInChI=1S/C21H29N3O3/c1-15-12-18(25)17(13-22-15)19(26)23-11-9-21(14-23)8-5-10-24(20(21)27)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3,(H,22,25)/t21-/m0/s1
InChIKeyCUCCCNZAJNGESM-NRFANRHFSA-N
XLogP2.47
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97128860) is (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(=O)c(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c[nH]1.
What is the InChIKey of (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CUCCCNZAJNGESM-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-12-18(25)17(13-22-15)19(26)23-11-9-21(14-23)8-5-10-24(20(21)27)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3,(H,22,25)/t21-/m0/s1.
What are the key properties of (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 371.48 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclohexyl-2-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97128860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).