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

C17H21N3O2S — CID 71938663

IUPAC2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2cccn2Cc2cccs2)CC1
InChIInChI=1S/C17H21N3O2S/c18-16(21)11-13-5-8-19(9-6-13)17(22)15-4-1-7-20(15)12-14-3-2-10-23-14/h1-4,7,10,13H,5-6,8-9,11-12H2,(H2,18,21)
InChIKeyNTPRCGJWINHTIN-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.33
Rot. Bonds5

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

2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide (PubChem CID 71938663) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide
PubChem CID71938663
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2cccn2Cc2cccs2)CC1
InChIInChI=1S/C17H21N3O2S/c18-16(21)11-13-5-8-19(9-6-13)17(22)15-4-1-7-20(15)12-14-3-2-10-23-14/h1-4,7,10,13H,5-6,8-9,11-12H2,(H2,18,21)
InChIKeyNTPRCGJWINHTIN-UHFFFAOYSA-N
XLogP2.33
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide (CID 71938663) is 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)c2cccn2Cc2cccs2)CC1.
What is the InChIKey of 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is NTPRCGJWINHTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c18-16(21)11-13-5-8-19(9-6-13)17(22)15-4-1-7-20(15)12-14-3-2-10-23-14/h1-4,7,10,13H,5-6,8-9,11-12H2,(H2,18,21).
What are the key properties of 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide?
2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 71938663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).