N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

C18H20N2O2S — CID 885311

IUPACN-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C18H20N2O2S/c1-13-8-10-20(11-9-13)18(22)14-4-6-15(7-5-14)19-17(21)16-3-2-12-23-16/h2-7,12-13H,8-11H2,1H3,(H,19,21)
InChIKeyXREZQEIDSQEJLW-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.87
Rot. Bonds3

About N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 885311) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID885311
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C18H20N2O2S/c1-13-8-10-20(11-9-13)18(22)14-4-6-15(7-5-14)19-17(21)16-3-2-12-23-16/h2-7,12-13H,8-11H2,1H3,(H,19,21)
InChIKeyXREZQEIDSQEJLW-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 885311) is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is CC1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is XREZQEIDSQEJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-8-10-20(11-9-13)18(22)14-4-6-15(7-5-14)19-17(21)16-3-2-12-23-16/h2-7,12-13H,8-11H2,1H3,(H,19,21).
What are the key properties of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 885311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).