N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide

C22H24N4O2 — CID 25498632

IUPACN-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C22H24N4O2/c23-14-18-7-4-8-20(13-18)25-21(27)16-26-11-9-19(10-12-26)22(28)24-15-17-5-2-1-3-6-17/h1-8,13,19H,9-12,15-16H2,(H,24,28)(H,25,27)
InChIKeyXRYQIYUMUGMIIR-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.53
Rot. Bonds6

About N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide

N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 25498632) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID25498632
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C22H24N4O2/c23-14-18-7-4-8-20(13-18)25-21(27)16-26-11-9-19(10-12-26)22(28)24-15-17-5-2-1-3-6-17/h1-8,13,19H,9-12,15-16H2,(H,24,28)(H,25,27)
InChIKeyXRYQIYUMUGMIIR-UHFFFAOYSA-N
XLogP2.53
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31692602
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-benzyl-1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 26666155
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 112841618
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)acetamide
CID 55362309
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 25498632) is N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide is N#Cc1cccc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is XRYQIYUMUGMIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-14-18-7-4-8-20(13-18)25-21(27)16-26-11-9-19(10-12-26)22(28)24-15-17-5-2-1-3-6-17/h1-8,13,19H,9-12,15-16H2,(H,24,28)(H,25,27).
What are the key properties of N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 25498632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).