(5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one

C17H22N4O2 — CID 97495229

IUPAC(5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C)C(=O)[C@@]12CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C17H22N4O2/c1-3-9-21-12-11-19(2)16(23)17(21)6-10-20(13-17)15(22)14-4-7-18-8-5-14/h3-5,7-8H,1,6,9-13H2,2H3/t17-/m0/s1
InChIKeyHUNLEAUCWYHLID-KRWDZBQOSA-N
MW314.39 g/mol
LogP0.63
Rot. Bonds3

About (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one

(5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 97495229) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID97495229
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C)C(=O)[C@@]12CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C17H22N4O2/c1-3-9-21-12-11-19(2)16(23)17(21)6-10-20(13-17)15(22)14-4-7-18-8-5-14/h3-5,7-8H,1,6,9-13H2,2H3/t17-/m0/s1
InChIKeyHUNLEAUCWYHLID-KRWDZBQOSA-N
XLogP0.63
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 97495285
9-methyl-2-methylsulfonyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 131653104
(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 97495284
9-methyl-2-methylsulfonyl-6-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one
CID 134074182
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91925174
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
CID 131648719
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 103727180

Frequently Asked Questions

What is the IUPAC name of (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one (CID 97495229) is (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one.
What is the SMILES notation for (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one is C=CCN1CCN(C)C(=O)[C@@]12CCN(C(=O)c1ccncc1)C2.
What is the InChIKey of (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is HUNLEAUCWYHLID-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-9-21-12-11-19(2)16(23)17(21)6-10-20(13-17)15(22)14-4-7-18-8-5-14/h3-5,7-8H,1,6,9-13H2,2H3/t17-/m0/s1.
What are the key properties of (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one?
(5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 314.39 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 97495229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).