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

C19H23N5O3 — CID 16622811

IUPAC3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H23N5O3/c25-17(15-14-20-16-6-2-5-9-24(16)18(15)26)21-10-12-23(13-11-21)19(27)22-7-3-1-4-8-22/h2,5-6,9,14H,1,3-4,7-8,10-13H2
InChIKeyWSIFVRSQTGUGRH-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.06
Rot. Bonds1

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

3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16622811) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID16622811
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H23N5O3/c25-17(15-14-20-16-6-2-5-9-24(16)18(15)26)21-10-12-23(13-11-21)19(27)22-7-3-1-4-8-22/h2,5-6,9,14H,1,3-4,7-8,10-13H2
InChIKeyWSIFVRSQTGUGRH-UHFFFAOYSA-N
XLogP1.06
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 16622811) is 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WSIFVRSQTGUGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-17(15-14-20-16-6-2-5-9-24(16)18(15)26)21-10-12-23(13-11-21)19(27)22-7-3-1-4-8-22/h2,5-6,9,14H,1,3-4,7-8,10-13H2.
What are the key properties of 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 369.43 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16622811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).