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

C20H25N3O2S — CID 71889150

IUPACpyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1cccn1Cc1cccs1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-19(21-9-1-2-10-21)16-7-12-22(13-8-16)20(25)18-6-3-11-23(18)15-17-5-4-14-26-17/h3-6,11,14,16H,1-2,7-10,12-13,15H2
InChIKeyMLAZBWDIHYEWQF-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.07
Rot. Bonds4

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

pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone (PubChem CID 71889150) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone
PubChem CID71889150
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Namepyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1cccn1Cc1cccs1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H25N3O2S/c24-19(21-9-1-2-10-21)16-7-12-22(13-8-16)20(25)18-6-3-11-23(18)15-17-5-4-14-26-17/h3-6,11,14,16H,1-2,7-10,12-13,15H2
InChIKeyMLAZBWDIHYEWQF-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone (CID 71889150) is pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone is O=C(c1cccn1Cc1cccs1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone?
The InChIKey is MLAZBWDIHYEWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(21-9-1-2-10-21)16-7-12-22(13-8-16)20(25)18-6-3-11-23(18)15-17-5-4-14-26-17/h3-6,11,14,16H,1-2,7-10,12-13,15H2.
What are the key properties of pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone?
pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone has a molecular weight of 371.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 71889150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).