2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate

C14H20N4O3 — CID 108569986

IUPAC2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C14H20N4O3/c1-11(2)10-21-14(20)18-7-5-17(6-8-18)13(19)12-9-15-3-4-16-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyLRSLFJJZAQQTSK-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.03
Rot. Bonds3

About 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate

2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 108569986) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
PubChem CID108569986
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C14H20N4O3/c1-11(2)10-21-14(20)18-7-5-17(6-8-18)13(19)12-9-15-3-4-16-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyLRSLFJJZAQQTSK-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate
CID 126483046
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
2-methylpropyl 4-(isoquinoline-1-carbonyl)piperazine-1-carboxylate
CID 51130465
2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 105351139
3-methoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547814
2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108534701
2-methylpropyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
CID 108567941
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 7351393
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate (CID 108569986) is 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is LRSLFJJZAQQTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11(2)10-21-14(20)18-7-5-17(6-8-18)13(19)12-9-15-3-4-16-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate?
2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 108569986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).