tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C16H30N4O2 — CID 103398421

IUPACtert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC1CN(C)CCC1NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O2/c1-12-10-19(5)8-6-13(12)18-14-11-20(9-7-17-14)15(21)22-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,18)
InChIKeyXFJQDNHGOTUPPR-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.57
Rot. Bonds1

About tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398421) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398421
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC1CN(C)CCC1NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O2/c1-12-10-19(5)8-6-13(12)18-14-11-20(9-7-17-14)15(21)22-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,18)
InChIKeyXFJQDNHGOTUPPR-UHFFFAOYSA-N
XLogP1.57
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[1-[C-(1-amino-1-fluoroethyl)-N-ethylcarbonimidoyl]piperidin-4-yl]carbamate
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tert-butyl (3S,5R)-3-[(N,N'-dimethylcarbamimidoyl)amino]-5-methylpiperidine-1-carboxylate
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tert-butyl N-[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398421) is tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC1CN(C)CCC1NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is XFJQDNHGOTUPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-12-10-19(5)8-6-13(12)18-14-11-20(9-7-17-14)15(21)22-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1,3-dimethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).