1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide

C19H27N3OS — CID 55527298

IUPAC1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC(c2cccs2)N2CCC(C)CC2)n1C
InChIInChI=1S/C19H27N3OS/c1-14-8-10-22(11-9-14)17(18-5-4-12-24-18)13-20-19(23)16-7-6-15(2)21(16)3/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,20,23)
InChIKeyWAQFMIMVKXZNDV-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.60
Rot. Bonds5

About 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide

1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide (PubChem CID 55527298) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
PubChem CID55527298
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC(c2cccs2)N2CCC(C)CC2)n1C
InChIInChI=1S/C19H27N3OS/c1-14-8-10-22(11-9-14)17(18-5-4-12-24-18)13-20-19(23)16-7-6-15(2)21(16)3/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,20,23)
InChIKeyWAQFMIMVKXZNDV-UHFFFAOYSA-N
XLogP3.60
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
1-methyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-6-oxopyridazine-3-carboxamide
CID 34942270
5,7-dimethyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34940122
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006400
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665
methyl 2,4-dimethyl-5-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 16595197
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide (CID 55527298) is 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide is Cc1ccc(C(=O)NCC(c2cccs2)N2CCC(C)CC2)n1C.
What is the InChIKey of 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The InChIKey is WAQFMIMVKXZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-14-8-10-22(11-9-14)17(18-5-4-12-24-18)13-20-19(23)16-7-6-15(2)21(16)3/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,20,23).
What are the key properties of 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide?
1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55527298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).