1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one

C20H25N3O2S — CID 99818850

IUPAC1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one
SMILESO=C(c1cccn1Cc1cccs1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C20H25N3O2S/c24-19-7-1-2-11-23(19)16-8-12-21(13-9-16)20(25)18-6-3-10-22(18)15-17-5-4-14-26-17/h3-6,10,14,16H,1-2,7-9,11-13,15H2
InChIKeyAGWLFXNQXCEZMW-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.21
Rot. Bonds4

About 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one

1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one (PubChem CID 99818850) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one
PubChem CID99818850
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one
SMILESO=C(c1cccn1Cc1cccs1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C20H25N3O2S/c24-19-7-1-2-11-23(19)16-8-12-21(13-9-16)20(25)18-6-3-10-22(18)15-17-5-4-14-26-17/h3-6,10,14,16H,1-2,7-9,11-13,15H2
InChIKeyAGWLFXNQXCEZMW-UHFFFAOYSA-N
XLogP3.21
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
CID 119376847
2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178450
(3R)-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610662
1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-3-yl]piperazin-2-one;hydrochloride
CID 126794872
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 95589892
[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 126795760
N-cyclohexyl-N-methyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
CID 55940011
[(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
4-phenyl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxylic acid
CID 119168407
N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
CID 55930197
(3S)-3-methyl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610385
1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 56879144

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one (CID 99818850) is 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one is O=C(c1cccn1Cc1cccs1)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one?
The InChIKey is AGWLFXNQXCEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19-7-1-2-11-23(19)16-8-12-21(13-9-16)20(25)18-6-3-10-22(18)15-17-5-4-14-26-17/h3-6,10,14,16H,1-2,7-9,11-13,15H2.
What are the key properties of 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one?
1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one has a molecular weight of 371.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 99818850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).