2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide

C15H20N4O2 — CID 104848882

IUPAC2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
SMILESCOc1cc(C#N)ccc1NC(=O)CN1CCC(N)CC1
InChIInChI=1S/C15H20N4O2/c1-21-14-8-11(9-16)2-3-13(14)18-15(20)10-19-6-4-12(17)5-7-19/h2-3,8,12H,4-7,10,17H2,1H3,(H,18,20)
InChIKeyXSPYCNZZJDPUDN-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.93
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide (PubChem CID 104848882) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
PubChem CID104848882
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
SMILESCOc1cc(C#N)ccc1NC(=O)CN1CCC(N)CC1
InChIInChI=1S/C15H20N4O2/c1-21-14-8-11(9-16)2-3-13(14)18-15(20)10-19-6-4-12(17)5-7-19/h2-3,8,12H,4-7,10,17H2,1H3,(H,18,20)
InChIKeyXSPYCNZZJDPUDN-UHFFFAOYSA-N
XLogP0.93
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(5-cyano-2-methylphenyl)acetamide
CID 79327658
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104847822
N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
CID 104854981
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848920
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
2-(4-aminopiperidin-1-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 79322871
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide (CID 104848882) is 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide is COc1cc(C#N)ccc1NC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide?
The InChIKey is XSPYCNZZJDPUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-14-8-11(9-16)2-3-13(14)18-15(20)10-19-6-4-12(17)5-7-19/h2-3,8,12H,4-7,10,17H2,1H3,(H,18,20).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide is sourced from PubChem (CID 104848882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).