methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate

C11H15N3O2 — CID 115538188

IUPACmethyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccncn1
InChIInChI=1S/C11H15N3O2/c1-16-11(15)9-4-2-3-7-14(9)10-5-6-12-8-13-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyPUJLKLIWOJZKRD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds2

About methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate

methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate (PubChem CID 115538188) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
PubChem CID115538188
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccncn1
InChIInChI=1S/C11H15N3O2/c1-16-11(15)9-4-2-3-7-14(9)10-5-6-12-8-13-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyPUJLKLIWOJZKRD-UHFFFAOYSA-N
XLogP1.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354
methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
CID 66284729
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate
CID 113368331
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115538245
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764

Frequently Asked Questions

What is the IUPAC name of methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate (CID 115538188) is methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate is COC(=O)C1CCCCN1c1ccncn1.
What is the InChIKey of methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate?
The InChIKey is PUJLKLIWOJZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11(15)9-4-2-3-7-14(9)10-5-6-12-8-13-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate?
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate is sourced from PubChem (CID 115538188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).