2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide

C20H26N2OS — CID 24551030

IUPAC2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2CN2CCCCC2)c(C)s1
InChIInChI=1S/C20H26N2OS/c1-15-12-19(16(2)24-15)20(23)21-13-17-8-4-5-9-18(17)14-22-10-6-3-7-11-22/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyRICCANWOKVVUDT-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.28
Rot. Bonds5

About 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide

2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 24551030) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID24551030
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2CN2CCCCC2)c(C)s1
InChIInChI=1S/C20H26N2OS/c1-15-12-19(16(2)24-15)20(23)21-13-17-8-4-5-9-18(17)14-22-10-6-3-7-11-22/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyRICCANWOKVVUDT-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17499796
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
5-acetamido-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-hydroxybenzamide
CID 86943591
3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 24551435
5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 35979072
(E)-3-(5-methylthiophen-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8969652
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559974
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide (CID 24551030) is 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2CN2CCCCC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is RICCANWOKVVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-15-12-19(16(2)24-15)20(23)21-13-17-8-4-5-9-18(17)14-22-10-6-3-7-11-22/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide?
2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 24551030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).