[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C21H26N4O — CID 110113168

IUPAC[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESNc1nccnc1CC1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C21H26N4O/c22-20-19(23-9-10-24-20)12-15-4-3-11-25(14-15)21(26)18-8-7-16-5-1-2-6-17(16)13-18/h7-10,13,15H,1-6,11-12,14H2,(H2,22,24)
InChIKeyBBPGIHZIBKQBGF-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.03
Rot. Bonds3

About [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 110113168) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID110113168
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESNc1nccnc1CC1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C21H26N4O/c22-20-19(23-9-10-24-20)12-15-4-3-11-25(14-15)21(26)18-8-7-16-5-1-2-6-17(16)13-18/h7-10,13,15H,1-6,11-12,14H2,(H2,22,24)
InChIKeyBBPGIHZIBKQBGF-UHFFFAOYSA-N
XLogP3.03
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125010142
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124955017
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125023698
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone
CID 110113161
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 119538624
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110113145
2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
CID 175652282

Frequently Asked Questions

What is the IUPAC name of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 110113168) is [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is Nc1nccnc1CC1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is BBPGIHZIBKQBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c22-20-19(23-9-10-24-20)12-15-4-3-11-25(14-15)21(26)18-8-7-16-5-1-2-6-17(16)13-18/h7-10,13,15H,1-6,11-12,14H2,(H2,22,24).
What are the key properties of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 110113168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).