N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C16H22N4OS — CID 119449181

IUPACN-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cccn1Cc1cccs1
InChIInChI=1S/C16H22N4OS/c21-16(18-7-11-19-9-5-17-6-10-19)15-4-1-8-20(15)13-14-3-2-12-22-14/h1-4,8,12,17H,5-7,9-11,13H2,(H,18,21)
InChIKeyAOGISNGLOZBVHJ-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.23
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 119449181) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID119449181
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cccn1Cc1cccs1
InChIInChI=1S/C16H22N4OS/c21-16(18-7-11-19-9-5-17-6-10-19)15-4-1-8-20(15)13-14-3-2-12-22-14/h1-4,8,12,17H,5-7,9-11,13H2,(H,18,21)
InChIKeyAOGISNGLOZBVHJ-UHFFFAOYSA-N
XLogP1.23
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119449180
N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119390366
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119454255
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
2-[2-(3-piperazin-1-ylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79321926
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874
1-(thiophen-2-ylmethyl)piperazine
CID 566208
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 119449181) is N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is O=C(NCCN1CCNCC1)c1cccn1Cc1cccs1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is AOGISNGLOZBVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c21-16(18-7-11-19-9-5-17-6-10-19)15-4-1-8-20(15)13-14-3-2-12-22-14/h1-4,8,12,17H,5-7,9-11,13H2,(H,18,21).
What are the key properties of N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 119449181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).