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

C17H32N4O2 — CID 103398056

IUPACtert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-5-9-20-10-6-14(7-11-20)19-15-13-21(12-8-18-15)16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,19)
InChIKeyXKQBONUYABAHCD-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.10
Rot. Bonds3

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

tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398056) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398056
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-5-9-20-10-6-14(7-11-20)19-15-13-21(12-8-18-15)16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,19)
InChIKeyXKQBONUYABAHCD-UHFFFAOYSA-N
XLogP2.10
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.10
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
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CID 170121057
tert-butyl 4-[C-methyl-N-[N'-(1-methylpiperidin-4-yl)-N-(1,1,1-trifluoropropan-2-yl)carbamimidoyl]carbonimidoyl]piperazine-1-carboxylate
CID 173815058
tert-butyl N-[2-[[N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]ethyl]-N-propylcarbamate
CID 109394972
tert-butyl N-[2-[[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate
CID 109394982
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 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate
CID 71047050
tert-butyl 4-[[C-(dicyanomethyl)-N-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonimidoyl]amino]piperidine-1-carboxylate
CID 90758798
Tert-butyl 4-[(6-imino-7-propyl-2,3-dihydro-1,4-diazepin-5-yl)amino]piperidine-1-carboxylate
CID 91459698
tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
CID 123848410
tert-butyl N-[1-[1-(dimethylamino)ethylidenecarbamothioyl]piperidin-4-yl]carbamate;ethane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398056) is tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCCN1CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is XKQBONUYABAHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-5-9-20-10-6-14(7-11-20)19-15-13-21(12-8-18-15)16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-propylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).