N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine

C18H26N4OS — CID 133484080

IUPACN-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(NCC2CCCN(C)C2c2cccs2)n1
InChIInChI=1S/C18H26N4OS/c1-13(2)23-17-12-19-11-16(21-17)20-10-14-6-4-8-22(3)18(14)15-7-5-9-24-15/h5,7,9,11-14,18H,4,6,8,10H2,1-3H3,(H,20,21)
InChIKeyBHCWRZNWVWNFDA-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.82
Rot. Bonds6

About N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine

N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine (PubChem CID 133484080) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine
PubChem CID133484080
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(NCC2CCCN(C)C2c2cccs2)n1
InChIInChI=1S/C18H26N4OS/c1-13(2)23-17-12-19-11-16(21-17)20-10-14-6-4-8-22(3)18(14)15-7-5-9-24-15/h5,7,9,11-14,18H,4,6,8,10H2,1-3H3,(H,20,21)
InChIKeyBHCWRZNWVWNFDA-UHFFFAOYSA-N
XLogP3.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine
CID 65028110
1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971398
(1S)-1-(5-fluoro-3-pyridinyl)-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]ethanamine
CID 99717952
2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111665881
2-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-5-nitropyrimidine-2,4-diamine
CID 129422400
2,6-dichloro-4-[(1S)-1-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methylamino]ethyl]aniline
CID 124860029
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666158
6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
CID 133340874
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666934
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666933
2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111819335
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666862

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine (CID 133484080) is N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine is CC(C)Oc1cncc(NCC2CCCN(C)C2c2cccs2)n1.
What is the InChIKey of N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is BHCWRZNWVWNFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(2)23-17-12-19-11-16(21-17)20-10-14-6-4-8-22(3)18(14)15-7-5-9-24-15/h5,7,9,11-14,18H,4,6,8,10H2,1-3H3,(H,20,21).
What are the key properties of N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine?
N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 346.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133484080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).