N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide

C19H20N4O2S — CID 31996879

IUPACN-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESN#Cc1cccc(NC(=O)CCN2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H20N4O2S/c20-14-15-3-1-4-16(13-15)21-18(24)6-7-22-8-10-23(11-9-22)19(25)17-5-2-12-26-17/h1-5,12-13H,6-11H2,(H,21,24)
InChIKeyAQENFWLBXFDHNG-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.41
Rot. Bonds5

About N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide

N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 31996879) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID31996879
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESN#Cc1cccc(NC(=O)CCN2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H20N4O2S/c20-14-15-3-1-4-16(13-15)21-18(24)6-7-22-8-10-23(11-9-22)19(25)17-5-2-12-26-17/h1-5,12-13H,6-11H2,(H,21,24)
InChIKeyAQENFWLBXFDHNG-UHFFFAOYSA-N
XLogP2.41
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017
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CID 80702946
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967
N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115873695
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245152
N-(3-cyanophenyl)-3-(2-ethylthiomorpholin-4-yl)propanamide
CID 115666984
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490825
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide (CID 31996879) is N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide is N#Cc1cccc(NC(=O)CCN2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is AQENFWLBXFDHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-14-15-3-1-4-16(13-15)21-18(24)6-7-22-8-10-23(11-9-22)19(25)17-5-2-12-26-17/h1-5,12-13H,6-11H2,(H,21,24).
What are the key properties of N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide?
N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 31996879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).