N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide

C15H18N4O2 — CID 24674040

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C15H18N4O2/c16-9-11-1-3-12(4-2-11)15(21)18-13-5-7-19(8-6-13)10-14(17)20/h1-4,13H,5-8,10H2,(H2,17,20)(H,18,21)
InChIKeyAFZVKMIKFUEXSD-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.24
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide (PubChem CID 24674040) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
PubChem CID24674040
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C15H18N4O2/c16-9-11-1-3-12(4-2-11)15(21)18-13-5-7-19(8-6-13)10-14(17)20/h1-4,13H,5-8,10H2,(H2,17,20)(H,18,21)
InChIKeyAFZVKMIKFUEXSD-UHFFFAOYSA-N
XLogP0.24
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyclohexylbenzamide
CID 46687376
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627321
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(cyclopropanecarbonylamino)benzamide
CID 134047720
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 18278929
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
N-[1-(cyanomethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627664
1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228110
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide (CID 24674040) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide is N#Cc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide?
The InChIKey is AFZVKMIKFUEXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-9-11-1-3-12(4-2-11)15(21)18-13-5-7-19(8-6-13)10-14(17)20/h1-4,13H,5-8,10H2,(H2,17,20)(H,18,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide has a molecular weight of 286.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide is sourced from PubChem (CID 24674040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).