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

C16H30N4O2 — CID 103398074

IUPACtert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCCC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N4O2/c1-16(2,3)22-15(21)20-9-7-17-14(12-20)18-10-13-6-5-8-19(4)11-13/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyDYKIFTOTWARLLI-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.57
Rot. Bonds2

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

tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398074) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398074
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCCC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N4O2/c1-16(2,3)22-15(21)20-9-7-17-14(12-20)18-10-13-6-5-8-19(4)11-13/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyDYKIFTOTWARLLI-UHFFFAOYSA-N
XLogP1.57
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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

Tert-butyl 5-(2,4,4-trimethylpentan-2-ylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 23624340
tert-butyl N-[1-[C-(2-aminoethanimidoyl)-N-methylcarbonimidoyl]-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 123990837
tert-butyl 3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66786184
tert-butyl (3R)-3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66786185
tert-butyl (3R)-3-[(2,4-dimethyl-4,5-dihydroimidazol-1-yl)methyl]piperidine-1-carboxylate
CID 142002007
tert-butyl (3S)-3-(4a,5,6,7,8,8a-hexahydro-3H-pyrido[4,3-d]pyrimidin-4-ylideneamino)pyrrolidine-1-carboxylate
CID 148684222
tert-butyl 2-[1-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)propan-2-yl]-4,5-dihydroimidazole-1-carboxylate
CID 164099056
tert-butyl (3R,5S)-3-methyl-5-[(N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 167069673
tert-butyl 3-methylpiperidine-1-carboxylate;N'-methylethanimidamide
CID 172254835
Tert-butyl 5-(2,4,4-trimethylpentan-2-ylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate;hydrochloride
CID 23624339
Tert-butyl 5-(tert-butylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379584
Tert-butyl 5-(cyclopentylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379586

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398074) is tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN1CCCC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is DYKIFTOTWARLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-16(2,3)22-15(21)20-9-7-17-14(12-20)18-10-13-6-5-8-19(4)11-13/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-methylpiperidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).