5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

C17H28ClN3OS — CID 146071644

IUPAC5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N(CCN2CCCCC2)C2CCNC2)s1.Cl
InChIInChI=1S/C17H27N3OS.ClH/c1-14-5-6-16(22-14)17(21)20(15-7-8-18-13-15)12-11-19-9-3-2-4-10-19;/h5-6,15,18H,2-4,7-13H2,1H3;1H
InChIKeyODLLQIZTHSLQBE-UHFFFAOYSA-N
MW357.95 g/mol
LogP2.77
Rot. Bonds5

About 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 146071644) has the molecular formula C17H28ClN3OS and a molecular weight of 357.95 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID146071644
Molecular FormulaC17H28ClN3OS
Molecular Weight357.95 g/mol
Exact Mass357.16
IUPAC Name5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N(CCN2CCCCC2)C2CCNC2)s1.Cl
InChIInChI=1S/C17H27N3OS.ClH/c1-14-5-6-16(22-14)17(21)20(15-7-8-18-13-15)12-11-19-9-3-2-4-10-19;/h5-6,15,18H,2-4,7-13H2,1H3;1H
InChIKeyODLLQIZTHSLQBE-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.95
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-nitro-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
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4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 146071644) is 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is Cc1ccc(C(=O)N(CCN2CCCCC2)C2CCNC2)s1.Cl.
What is the InChIKey of 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is ODLLQIZTHSLQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS.ClH/c1-14-5-6-16(22-14)17(21)20(15-7-8-18-13-15)12-11-19-9-3-2-4-10-19;/h5-6,15,18H,2-4,7-13H2,1H3;1H.
What are the key properties of 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 357.95 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 146071644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).