3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C23H26N4O2 — CID 24817289

IUPAC3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(2)17-8-10-18(11-9-17)25-19-6-5-12-26(15-19)22(28)20-14-24-21-7-3-4-13-27(21)23(20)29/h3-4,7-11,13-14,16,19,25H,5-6,12,15H2,1-2H3
InChIKeyOSYQOZHXJKCMLB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.53
Rot. Bonds4

About 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24817289) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID24817289
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(2)17-8-10-18(11-9-17)25-19-6-5-12-26(15-19)22(28)20-14-24-21-7-3-4-13-27(21)23(20)29/h3-4,7-11,13-14,16,19,25H,5-6,12,15H2,1-2H3
InChIKeyOSYQOZHXJKCMLB-UHFFFAOYSA-N
XLogP3.53
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 24817289) is 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)c1ccc(NC2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)cc1.
What is the InChIKey of 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OSYQOZHXJKCMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)17-8-10-18(11-9-17)25-19-6-5-12-26(15-19)22(28)20-14-24-21-7-3-4-13-27(21)23(20)29/h3-4,7-11,13-14,16,19,25H,5-6,12,15H2,1-2H3.
What are the key properties of 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 390.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24817289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).