methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate

C17H21N3O3 — CID 92849166

IUPACmethyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C17H21N3O3/c1-12-6-5-9-20-15(21)10-13(18-16(12)20)11-19-8-4-3-7-14(19)17(22)23-2/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3/t14-/m1/s1
InChIKeySDSKELWGYUTNNA-CQSZACIVSA-N
MW315.37 g/mol
LogP1.53
Rot. Bonds3

About methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate

methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate (PubChem CID 92849166) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
PubChem CID92849166
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C17H21N3O3/c1-12-6-5-9-20-15(21)10-13(18-16(12)20)11-19-8-4-3-7-14(19)17(22)23-2/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3/t14-/m1/s1
InChIKeySDSKELWGYUTNNA-CQSZACIVSA-N
XLogP1.53
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate (CID 92849166) is methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate?
The InChIKey is SDSKELWGYUTNNA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-6-5-9-20-15(21)10-13(18-16(12)20)11-19-8-4-3-7-14(19)17(22)23-2/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 92849166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).