4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide

C16H26N2OS — CID 106628858

IUPAC4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CC2CCCNC2)C(C)C)sc1C
InChIInChI=1S/C16H26N2OS/c1-11(2)18(10-14-6-5-7-17-9-14)16(19)15-8-12(3)13(4)20-15/h8,11,14,17H,5-7,9-10H2,1-4H3
InChIKeyULCFRPHARBNPMM-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.22
Rot. Bonds4

About 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide

4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 106628858) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID106628858
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CC2CCCNC2)C(C)C)sc1C
InChIInChI=1S/C16H26N2OS/c1-11(2)18(10-14-6-5-7-17-9-14)16(19)15-8-12(3)13(4)20-15/h8,11,14,17H,5-7,9-10H2,1-4H3
InChIKeyULCFRPHARBNPMM-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
N,4,5-trimethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 65239377
N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 106629024
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide
CID 106628888
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 65241372
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide
CID 106629118

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 106628858) is 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide is Cc1cc(C(=O)N(CC2CCCNC2)C(C)C)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is ULCFRPHARBNPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11(2)18(10-14-6-5-7-17-9-14)16(19)15-8-12(3)13(4)20-15/h8,11,14,17H,5-7,9-10H2,1-4H3.
What are the key properties of 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 106628858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).