5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide

C18H22N2OS — CID 136519631

IUPAC5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide
SMILESCC1(c2ccccc2)CCN(Cc2cc(C(N)=O)cs2)CC1
InChIInChI=1S/C18H22N2OS/c1-18(15-5-3-2-4-6-15)7-9-20(10-8-18)12-16-11-14(13-22-16)17(19)21/h2-6,11,13H,7-10,12H2,1H3,(H2,19,21)
InChIKeyFXNFQLMHCMLIJZ-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.40
Rot. Bonds4

About 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide

5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide (PubChem CID 136519631) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide
PubChem CID136519631
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide
SMILESCC1(c2ccccc2)CCN(Cc2cc(C(N)=O)cs2)CC1
InChIInChI=1S/C18H22N2OS/c1-18(15-5-3-2-4-6-15)7-9-20(10-8-18)12-16-11-14(13-22-16)17(19)21/h2-6,11,13H,7-10,12H2,1H3,(H2,19,21)
InChIKeyFXNFQLMHCMLIJZ-UHFFFAOYSA-N
XLogP3.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide (CID 136519631) is 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide is CC1(c2ccccc2)CCN(Cc2cc(C(N)=O)cs2)CC1.
What is the InChIKey of 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide?
The InChIKey is FXNFQLMHCMLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-18(15-5-3-2-4-6-15)7-9-20(10-8-18)12-16-11-14(13-22-16)17(19)21/h2-6,11,13H,7-10,12H2,1H3,(H2,19,21).
What are the key properties of 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide?
5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 136519631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).