3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H21N3O3 — CID 95136111

IUPAC3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCO[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C17H21N3O3/c1-2-10-23-13-6-5-8-19(12-13)16(21)14-11-18-15-7-3-4-9-20(15)17(14)22/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3/t13-/m0/s1
InChIKeyZMZDNKJGGLRJHX-ZDUSSCGKSA-N
MW315.37 g/mol
LogP1.73
Rot. Bonds4

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

3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 95136111) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID95136111
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCO[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C17H21N3O3/c1-2-10-23-13-6-5-8-19(12-13)16(21)14-11-18-15-7-3-4-9-20(15)17(14)22/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3/t13-/m0/s1
InChIKeyZMZDNKJGGLRJHX-ZDUSSCGKSA-N
XLogP1.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 95136111) is 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CCCO[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1.
What is the InChIKey of 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZMZDNKJGGLRJHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-10-23-13-6-5-8-19(12-13)16(21)14-11-18-15-7-3-4-9-20(15)17(14)22/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 315.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95136111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).