(1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate

C16H23N3O3 — CID 143780657

IUPAC(1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
SMILESCc1cnc(OCC2CCN(C(=O)OC3(C)CC3)CC2)cn1
InChIInChI=1S/C16H23N3O3/c1-12-9-18-14(10-17-12)21-11-13-3-7-19(8-4-13)15(20)22-16(2)5-6-16/h9-10,13H,3-8,11H2,1-2H3
InChIKeyOHPSXHSPDLPSNR-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.56
Rot. Bonds4

About (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate

(1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate (PubChem CID 143780657) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
PubChem CID143780657
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
SMILESCc1cnc(OCC2CCN(C(=O)OC3(C)CC3)CC2)cn1
InChIInChI=1S/C16H23N3O3/c1-12-9-18-14(10-17-12)21-11-13-3-7-19(8-4-13)15(20)22-16(2)5-6-16/h9-10,13H,3-8,11H2,1-2H3
InChIKeyOHPSXHSPDLPSNR-UHFFFAOYSA-N
XLogP2.56
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[5-[[1-(1-methylcyclopropyl)oxycarbonylpiperidin-4-yl]methoxy]pyrazin-2-yl]piperazin-1-yl]sulfonylpropanoic acid
CID 25253311
(1-methylcyclopropyl) 4-[[5-[4-[2-(methylamino)ethylsulfonyl]piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 143780656
(1-methylcyclopropyl) 4-[[5-[3-methylpentyl(propanoyl)amino]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 143780664
(1-methylcyclopropyl) 4-[[5-(4-phenacylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 58430230
(1-methylcyclopropyl) 4-[[5-[4-[3-(azetidin-1-yl)propylsulfonyl]piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 66905004
(1-methylcyclopropyl) 4-[[5-[4-(azetidin-3-ylmethylsulfonyl)-2-oxopiperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 66905186
butane;(1-methylcyclopropyl) 4-[[5-[4-[(E)-2-pyridin-3-ylethenyl]sulfonylpiperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 143780690
(1-methylcyclopropyl) 4-[[2,6-difluoro-4-[2-(piperidine-1-carbonyl)pyrimidin-5-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 70929270
(1-methylcyclopropyl) 4-[[2,6-difluoro-4-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)carbamoyl]pyrimidin-5-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 87314189
tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 24902513
CID 143854347
CID 143854347
methane;(1-methylcyclopropyl) 4-[[5-(4-ethenylsulfonylpiperazin-1-yl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate;(1-methylcyclopropyl) 4-[[5-[4-[(E)-2-pyridin-3-ylethenyl]sulfonylpiperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[[5-[4-(2-pyridin-3-ylethylsulfonyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate)
CID 159033590

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate (CID 143780657) is (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate is Cc1cnc(OCC2CCN(C(=O)OC3(C)CC3)CC2)cn1.
What is the InChIKey of (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate?
The InChIKey is OHPSXHSPDLPSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-9-18-14(10-17-12)21-11-13-3-7-19(8-4-13)15(20)22-16(2)5-6-16/h9-10,13H,3-8,11H2,1-2H3.
What are the key properties of (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate?
(1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 4-[(5-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 143780657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).