(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

C21H24N4O2 — CID 97496089

IUPAC(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2
InChIInChI=1S/C21H24N4O2/c1-17(26)25-14-20(27)24(19-8-3-2-4-9-19)16-21(25)10-12-23(15-21)13-18-7-5-6-11-22-18/h2-9,11H,10,12-16H2,1H3/t21-/m0/s1
InChIKeyVQZNJLMLNOPMOQ-NRFANRHFSA-N
MW364.45 g/mol
LogP1.92
Rot. Bonds3

About (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97496089) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID97496089
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2
InChIInChI=1S/C21H24N4O2/c1-17(26)25-14-20(27)24(19-8-3-2-4-9-19)16-21(25)10-12-23(15-21)13-18-7-5-6-11-22-18/h2-9,11H,10,12-16H2,1H3/t21-/m0/s1
InChIKeyVQZNJLMLNOPMOQ-NRFANRHFSA-N
XLogP1.92
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-6-acetyl-9-pyridin-3-yl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373462
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131651998
6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743295
6-acetyl-2-benzyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073016
(5R)-6-acetyl-2-[(5-methylthiophen-2-yl)methyl]-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373405
6-methyl-2-(pyridin-2-ylmethyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 171685957
6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638656
(5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496157
(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373455
6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131652078
6-acetyl-2-(5-fluoropyrimidin-2-yl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131656473
(5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373465

Frequently Asked Questions

What is the IUPAC name of (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 97496089) is (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2.
What is the InChIKey of (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is VQZNJLMLNOPMOQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-17(26)25-14-20(27)24(19-8-3-2-4-9-19)16-21(25)10-12-23(15-21)13-18-7-5-6-11-22-18/h2-9,11H,10,12-16H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 364.45 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97496089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).