5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide

C20H25ClN2OS — CID 25365389

IUPAC5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCN1CCC(CN(CCc2ccccc2)C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C20H25ClN2OS/c1-22-12-9-17(10-13-22)15-23(14-11-16-5-3-2-4-6-16)20(24)18-7-8-19(21)25-18/h2-8,17H,9-15H2,1H3
InChIKeyNFTRPBTVVWAAAR-UHFFFAOYSA-N
MW376.95 g/mol
LogP4.43
Rot. Bonds6

About 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide

5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 25365389) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID25365389
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCN1CCC(CN(CCc2ccccc2)C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C20H25ClN2OS/c1-22-12-9-17(10-13-22)15-23(14-11-16-5-3-2-4-6-16)20(24)18-7-8-19(21)25-18/h2-8,17H,9-15H2,1H3
InChIKeyNFTRPBTVVWAAAR-UHFFFAOYSA-N
XLogP4.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide (CID 25365389) is 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide is CN1CCC(CN(CCc2ccccc2)C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is NFTRPBTVVWAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2OS/c1-22-12-9-17(10-13-22)15-23(14-11-16-5-3-2-4-6-16)20(24)18-7-8-19(21)25-18/h2-8,17H,9-15H2,1H3.
What are the key properties of 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 376.95 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 25365389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).