4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide

C15H24N2O2S — CID 81118506

IUPAC4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(CC2CCNCC2)C(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-11(2)17(9-12-4-6-16-7-5-12)15(18)14-8-13(19-3)10-20-14/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyICOSAPUSEXEPFP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.61
Rot. Bonds5

About 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide

4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 81118506) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID81118506
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(CC2CCNCC2)C(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-11(2)17(9-12-4-6-16-7-5-12)15(18)14-8-13(19-3)10-20-14/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyICOSAPUSEXEPFP-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 81122595
4-[(4-methoxythiophene-2-carbonyl)-propan-2-ylamino]butanoic acid
CID 81117101
N-(2-amino-2-sulfanylideneethyl)-4-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81122323
N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
CID 167780143
4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106611298
N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81129766
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
4-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 81122974
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 81118506) is 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide is COc1csc(C(=O)N(CC2CCNCC2)C(C)C)c1.
What is the InChIKey of 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is ICOSAPUSEXEPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)17(9-12-4-6-16-7-5-12)15(18)14-8-13(19-3)10-20-14/h8,10-12,16H,4-7,9H2,1-3H3.
What are the key properties of 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 81118506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).