methyl 1-quinazolin-2-ylpiperidine-2-carboxylate

C15H17N3O2 — CID 114789710

IUPACmethyl 1-quinazolin-2-ylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ncc2ccccc2n1
InChIInChI=1S/C15H17N3O2/c1-20-14(19)13-8-4-5-9-18(13)15-16-10-11-6-2-3-7-12(11)17-15/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKeySEXMTDDIYOCBFM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds2

About methyl 1-quinazolin-2-ylpiperidine-2-carboxylate

methyl 1-quinazolin-2-ylpiperidine-2-carboxylate (PubChem CID 114789710) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 1-quinazolin-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-quinazolin-2-ylpiperidine-2-carboxylate
PubChem CID114789710
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 1-quinazolin-2-ylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ncc2ccccc2n1
InChIInChI=1S/C15H17N3O2/c1-20-14(19)13-8-4-5-9-18(13)15-16-10-11-6-2-3-7-12(11)17-15/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKeySEXMTDDIYOCBFM-UHFFFAOYSA-N
XLogP2.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
1-quinazolin-2-ylpiperidine-2-carbaldehyde
CID 114789784
methyl (2S)-1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylate
CID 140558382
methyl 1-quinolin-3-ylazetidine-2-carboxylate
CID 112581415
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
1-quinazolin-2-ylpiperazine-2-carboxamide
CID 114789482
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
CID 115973724
(2-chloroquinolin-3-yl)methyl (2S)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38485175
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354

Frequently Asked Questions

What is the IUPAC name of methyl 1-quinazolin-2-ylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-quinazolin-2-ylpiperidine-2-carboxylate (CID 114789710) is methyl 1-quinazolin-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-quinazolin-2-ylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-quinazolin-2-ylpiperidine-2-carboxylate is COC(=O)C1CCCCN1c1ncc2ccccc2n1.
What is the InChIKey of methyl 1-quinazolin-2-ylpiperidine-2-carboxylate?
The InChIKey is SEXMTDDIYOCBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14(19)13-8-4-5-9-18(13)15-16-10-11-6-2-3-7-12(11)17-15/h2-3,6-7,10,13H,4-5,8-9H2,1H3.
What are the key properties of methyl 1-quinazolin-2-ylpiperidine-2-carboxylate?
methyl 1-quinazolin-2-ylpiperidine-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-quinazolin-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 114789710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).