3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C24H32N4O2 — CID 45226247

IUPAC3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC2(CCCN(CC3CCCCC3)C2)C1
InChIInChI=1S/C24H32N4O2/c29-22(20-15-25-21-9-4-5-13-28(21)23(20)30)27-14-11-24(18-27)10-6-12-26(17-24)16-19-7-2-1-3-8-19/h4-5,9,13,15,19H,1-3,6-8,10-12,14,16-18H2
InChIKeyHIXLVIPWMXJFGU-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.20
Rot. Bonds3

About 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 45226247) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID45226247
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC2(CCCN(CC3CCCCC3)C2)C1
InChIInChI=1S/C24H32N4O2/c29-22(20-15-25-21-9-4-5-13-28(21)23(20)30)27-14-11-24(18-27)10-6-12-26(17-24)16-19-7-2-1-3-8-19/h4-5,9,13,15,19H,1-3,6-8,10-12,14,16-18H2
InChIKeyHIXLVIPWMXJFGU-UHFFFAOYSA-N
XLogP3.20
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 45226247) is 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCC2(CCCN(CC3CCCCC3)C2)C1.
What is the InChIKey of 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HIXLVIPWMXJFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-22(20-15-25-21-9-4-5-13-28(21)23(20)30)27-14-11-24(18-27)10-6-12-26(17-24)16-19-7-2-1-3-8-19/h4-5,9,13,15,19H,1-3,6-8,10-12,14,16-18H2.
What are the key properties of 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 408.55 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 45226247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).