3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide

C20H26N4O2S — CID 155567938

IUPAC3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1NC(=O)CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N4O2S/c21-20(26)19-17(9-15-27-19)22-18(25)8-4-5-10-23-11-13-24(14-12-23)16-6-2-1-3-7-16/h1-3,6-7,9,15H,4-5,8,10-14H2,(H2,21,26)(H,22,25)
InChIKeyCKWRIKJZKDOTMM-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.78
Rot. Bonds8

About 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide

3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide (PubChem CID 155567938) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide
PubChem CID155567938
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1NC(=O)CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N4O2S/c21-20(26)19-17(9-15-27-19)22-18(25)8-4-5-10-23-11-13-24(14-12-23)16-6-2-1-3-7-16/h1-3,6-7,9,15H,4-5,8,10-14H2,(H2,21,26)(H,22,25)
InChIKeyCKWRIKJZKDOTMM-UHFFFAOYSA-N
XLogP2.78
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Telenzepine
CID 5387
10H-Thieno(3,4-b)(1,5)benzodiazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-
CID 3067217
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155516399
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 724147
N-(3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 847872
6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004607
6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004821
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1081265
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide?
The IUPAC name of 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide (CID 155567938) is 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide is NC(=O)c1sccc1NC(=O)CCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide?
The InChIKey is CKWRIKJZKDOTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c21-20(26)19-17(9-15-27-19)22-18(25)8-4-5-10-23-11-13-24(14-12-23)16-6-2-1-3-7-16/h1-3,6-7,9,15H,4-5,8,10-14H2,(H2,21,26)(H,22,25).
What are the key properties of 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide?
3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide is sourced from PubChem (CID 155567938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).