1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid

C16H18N4O4 — CID 44782736

IUPAC1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNc2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C16H18N4O4/c21-14(19-7-4-11(5-8-19)16(23)24)10-17-12-9-18-13-3-1-2-6-20(13)15(12)22/h1-3,6,9,11,17H,4-5,7-8,10H2,(H,23,24)
InChIKeyBWFGWXALTHLARK-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.43
Rot. Bonds4

About 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 44782736) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID44782736
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNc2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C16H18N4O4/c21-14(19-7-4-11(5-8-19)16(23)24)10-17-12-9-18-13-3-1-2-6-20(13)15(12)22/h1-3,6,9,11,17H,4-5,7-8,10H2,(H,23,24)
InChIKeyBWFGWXALTHLARK-UHFFFAOYSA-N
XLogP0.43
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid (CID 44782736) is 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CNc2cnc3ccccn3c2=O)CC1.
What is the InChIKey of 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is BWFGWXALTHLARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-14(19-7-4-11(5-8-19)16(23)24)10-17-12-9-18-13-3-1-2-6-20(13)15(12)22/h1-3,6,9,11,17H,4-5,7-8,10H2,(H,23,24).
What are the key properties of 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 44782736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).