N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C15H17N3O2S — CID 71935632

IUPACN-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NC1CCCNC1=O)c1cccn1Cc1cccs1
InChIInChI=1S/C15H17N3O2S/c19-14-12(5-1-7-16-14)17-15(20)13-6-2-8-18(13)10-11-4-3-9-21-11/h2-4,6,8-9,12H,1,5,7,10H2,(H,16,19)(H,17,20)
InChIKeyDIBNLEXYUNLHMO-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.61
Rot. Bonds4

About N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 71935632) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID71935632
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NC1CCCNC1=O)c1cccn1Cc1cccs1
InChIInChI=1S/C15H17N3O2S/c19-14-12(5-1-7-16-14)17-15(20)13-6-2-8-18(13)10-11-4-3-9-21-11/h2-4,6,8-9,12H,1,5,7,10H2,(H,16,19)(H,17,20)
InChIKeyDIBNLEXYUNLHMO-UHFFFAOYSA-N
XLogP1.61
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331753
N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119390366
N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119454255
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 51966933
N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119617728
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
CID 119376847
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 95293574
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119449181
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 136518742
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119449180

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 71935632) is N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is O=C(NC1CCCNC1=O)c1cccn1Cc1cccs1.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is DIBNLEXYUNLHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14-12(5-1-7-16-14)17-15(20)13-6-2-8-18(13)10-11-4-3-9-21-11/h2-4,6,8-9,12H,1,5,7,10H2,(H,16,19)(H,17,20).
What are the key properties of N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71935632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).