(5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C18H24N4O2 — CID 97373465

IUPAC(5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(CC1CC1)C2
InChIInChI=1S/C18H24N4O2/c1-14(23)22-11-17(24)21(16-3-2-7-19-9-16)13-18(22)6-8-20(12-18)10-15-4-5-15/h2-3,7,9,15H,4-6,8,10-13H2,1H3/t18-/m0/s1
InChIKeyZMTQZWHLUQAROK-SFHVURJKSA-N
MW328.42 g/mol
LogP1.13
Rot. Bonds3

About (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

(5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97373465) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID97373465
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(CC1CC1)C2
InChIInChI=1S/C18H24N4O2/c1-14(23)22-11-17(24)21(16-3-2-7-19-9-16)13-18(22)6-8-20(12-18)10-15-4-5-15/h2-3,7,9,15H,4-6,8,10-13H2,1H3/t18-/m0/s1
InChIKeyZMTQZWHLUQAROK-SFHVURJKSA-N
XLogP1.13
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one with MolForge

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Related Compounds

6-acetyl-2-benzyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073016
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-9-pyridin-3-yl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373462
(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-9-pyridin-3-yl-2-pyrimidin-2-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073015
6-acetyl-9-pyridin-3-yl-2-pyrimidin-4-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131649727
(5S)-6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373401
(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496089
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131644928
6-acetyl-2-(furan-3-ylmethyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743295

Frequently Asked Questions

What is the IUPAC name of (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 97373465) is (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(CC1CC1)C2.
What is the InChIKey of (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is ZMTQZWHLUQAROK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(23)22-11-17(24)21(16-3-2-7-19-9-16)13-18(22)6-8-20(12-18)10-15-4-5-15/h2-3,7,9,15H,4-6,8,10-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
(5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 328.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97373465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).