1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea

C16H21N5O2 — CID 23607560

IUPAC1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H21N5O2/c22-15-13(12-18-14-6-2-5-10-21(14)15)19-16(23)17-7-11-20-8-3-1-4-9-20/h2,5-6,10,12H,1,3-4,7-9,11H2,(H2,17,19,23)
InChIKeyLZUSJWBQHJIQRY-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea

1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 23607560) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID23607560
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H21N5O2/c22-15-13(12-18-14-6-2-5-10-21(14)15)19-16(23)17-7-11-20-8-3-1-4-9-20/h2,5-6,10,12H,1,3-4,7-9,11H2,(H2,17,19,23)
InChIKeyLZUSJWBQHJIQRY-UHFFFAOYSA-N
XLogP1.30
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea (CID 23607560) is 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is LZUSJWBQHJIQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-15-13(12-18-14-6-2-5-10-21(14)15)19-16(23)17-7-11-20-8-3-1-4-9-20/h2,5-6,10,12H,1,3-4,7-9,11H2,(H2,17,19,23).
What are the key properties of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea?
1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 315.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 23607560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).