2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone

C18H23N5O2 — CID 147658932

IUPAC2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone
SMILESCOc1ccc(N2CCC(N)CC2)c(CC(=O)c2nccnc2N)c1
InChIInChI=1S/C18H23N5O2/c1-25-14-2-3-15(23-8-4-13(19)5-9-23)12(10-14)11-16(24)17-18(20)22-7-6-21-17/h2-3,6-7,10,13H,4-5,8-9,11,19H2,1H3,(H2,20,22)
InChIKeyGKYQXSQLRIQWGP-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.42
Rot. Bonds5

About 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone

2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone (PubChem CID 147658932) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone
PubChem CID147658932
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone
SMILESCOc1ccc(N2CCC(N)CC2)c(CC(=O)c2nccnc2N)c1
InChIInChI=1S/C18H23N5O2/c1-25-14-2-3-15(23-8-4-13(19)5-9-23)12(10-14)11-16(24)17-18(20)22-7-6-21-17/h2-3,6-7,10,13H,4-5,8-9,11,19H2,1H3,(H2,20,22)
InChIKeyGKYQXSQLRIQWGP-UHFFFAOYSA-N
XLogP1.42
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone
CID 147815467
3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide
CID 145468511
2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56828695
1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone
CID 146797458
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
CID 113305090
1-(4-methoxy-2-pyridinyl)pyrrolidin-3-amine
CID 83618665
5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
CID 117211071
1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine
CID 83137977
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
1-(4-ethoxy-2-fluorophenyl)piperidin-4-amine
CID 65202408

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone?
The IUPAC name of 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone (CID 147658932) is 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone.
What is the SMILES notation for 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone?
The canonical SMILES for 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone is COc1ccc(N2CCC(N)CC2)c(CC(=O)c2nccnc2N)c1.
What is the InChIKey of 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone?
The InChIKey is GKYQXSQLRIQWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-14-2-3-15(23-8-4-13(19)5-9-23)12(10-14)11-16(24)17-18(20)22-7-6-21-17/h2-3,6-7,10,13H,4-5,8-9,11,19H2,1H3,(H2,20,22).
What are the key properties of 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone?
2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone has a molecular weight of 341.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone is sourced from PubChem (CID 147658932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).