N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

C19H26N4O — CID 1439590

IUPACN-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H26N4O/c20-14-16-6-2-3-7-18(16)21-19(24)15-22-12-8-17(9-13-22)23-10-4-1-5-11-23/h2-3,6-7,17H,1,4-5,8-13,15H2,(H,21,24)
InChIKeyAXWVBCDBEXDHIK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.45
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 1439590) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
PubChem CID1439590
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H26N4O/c20-14-16-6-2-3-7-18(16)21-19(24)15-22-12-8-17(9-13-22)23-10-4-1-5-11-23/h2-3,6-7,17H,1,4-5,8-13,15H2,(H,21,24)
InChIKeyAXWVBCDBEXDHIK-UHFFFAOYSA-N
XLogP2.45
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411
methyl 2-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetyl]amino]benzoate
CID 11837383
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171668861
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63281967
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 47083042

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (CID 1439590) is N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is N#Cc1ccccc1NC(=O)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is AXWVBCDBEXDHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c20-14-16-6-2-3-7-18(16)21-19(24)15-22-12-8-17(9-13-22)23-10-4-1-5-11-23/h2-3,6-7,17H,1,4-5,8-13,15H2,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 1439590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).