1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone

C15H18N2OS — CID 116564805

IUPAC1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1cccn1C1CCNCC1
InChIInChI=1S/C15H18N2OS/c18-15(10-12-5-9-19-11-12)14-2-1-8-17(14)13-3-6-16-7-4-13/h1-2,5,8-9,11,13,16H,3-4,6-7,10H2
InChIKeyNSQOKRYACHLBMA-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.90
Rot. Bonds4

About 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone

1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone (PubChem CID 116564805) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone
PubChem CID116564805
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1cccn1C1CCNCC1
InChIInChI=1S/C15H18N2OS/c18-15(10-12-5-9-19-11-12)14-2-1-8-17(14)13-3-6-16-7-4-13/h1-2,5,8-9,11,13,16H,3-4,6-7,10H2
InChIKeyNSQOKRYACHLBMA-UHFFFAOYSA-N
XLogP2.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone with MolForge

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Related Compounds

1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone
CID 116564830
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
N-(2-amino-2-oxoethyl)-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103101886
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid
CID 107824874
N-methyl-N-piperidin-4-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641436
(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564738
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone (CID 116564805) is 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)c1cccn1C1CCNCC1.
What is the InChIKey of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone?
The InChIKey is NSQOKRYACHLBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-15(10-12-5-9-19-11-12)14-2-1-8-17(14)13-3-6-16-7-4-13/h1-2,5,8-9,11,13,16H,3-4,6-7,10H2.
What are the key properties of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone?
1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone has a molecular weight of 274.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 116564805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).