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

C17H21N3O3 — CID 92849165

IUPACmethyl (2S)-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-/m0/s1
InChIKeySDSKELWGYUTNNA-AWEZNQCLSA-N
MW315.37 g/mol
LogP1.53
Rot. Bonds3

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

methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate (PubChem CID 92849165) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
PubChem CID92849165
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl (2S)-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-/m0/s1
InChIKeySDSKELWGYUTNNA-AWEZNQCLSA-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

Analyze methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate with MolForge

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Related Compounds

Methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 42897795
1-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
CID 43441125
Ethyl 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 45797142
Methyl 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 45800743
Methyl 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 45800744
(9-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate
CID 56806905
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate
CID 56806908
Methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
CID 60597171
1-[(9-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde
CID 62654797
methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 92849166
methyl (2S)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 92849169
methyl (2R)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 92849170

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate (CID 92849165) is methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-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 (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate?
The InChIKey is SDSKELWGYUTNNA-AWEZNQCLSA-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-/m0/s1.
What are the key properties of methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate?
methyl (2S)-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 (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 92849165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).