2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C23H31N5O3 — CID 43066566

IUPAC2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)C(=O)N1CCCC(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)C1
InChIInChI=1S/C23H31N5O3/c1-17(2)22(30)27-8-5-6-18(15-27)23(31)26-12-10-25(11-13-26)16-19-14-21(29)28-9-4-3-7-20(28)24-19/h3-4,7,9,14,17-18H,5-6,8,10-13,15-16H2,1-2H3
InChIKeyXBXOCXVVUIPOJM-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.23
Rot. Bonds4

About 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43066566) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID43066566
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)C(=O)N1CCCC(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)C1
InChIInChI=1S/C23H31N5O3/c1-17(2)22(30)27-8-5-6-18(15-27)23(31)26-12-10-25(11-13-26)16-19-14-21(29)28-9-4-3-7-20(28)24-19/h3-4,7,9,14,17-18H,5-6,8,10-13,15-16H2,1-2H3
InChIKeyXBXOCXVVUIPOJM-UHFFFAOYSA-N
XLogP1.23
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 43066566) is 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)C(=O)N1CCCC(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)C1.
What is the InChIKey of 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XBXOCXVVUIPOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-17(2)22(30)27-8-5-6-18(15-27)23(31)26-12-10-25(11-13-26)16-19-14-21(29)28-9-4-3-7-20(28)24-19/h3-4,7,9,14,17-18H,5-6,8,10-13,15-16H2,1-2H3.
What are the key properties of 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 425.53 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43066566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).