4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide

C25H34N2OS — CID 141101656

IUPAC4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(CC2CCCN(C)C2)c2csc(-c3ccccc3)c2)CC1
InChIInChI=1S/C25H34N2OS/c1-19-10-12-22(13-11-19)25(28)27(17-20-7-6-14-26(2)16-20)23-15-24(29-18-23)21-8-4-3-5-9-21/h3-5,8-9,15,18-20,22H,6-7,10-14,16-17H2,1-2H3
InChIKeyIBASUVZLPAHTBW-UHFFFAOYSA-N
MW410.63 g/mol
LogP5.92
Rot. Bonds5

About 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide

4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide (PubChem CID 141101656) has the molecular formula C25H34N2OS and a molecular weight of 410.63 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
PubChem CID141101656
Molecular FormulaC25H34N2OS
Molecular Weight410.63 g/mol
Exact Mass410.24
IUPAC Name4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(CC2CCCN(C)C2)c2csc(-c3ccccc3)c2)CC1
InChIInChI=1S/C25H34N2OS/c1-19-10-12-22(13-11-19)25(28)27(17-20-7-6-14-26(2)16-20)23-15-24(29-18-23)21-8-4-3-5-9-21/h3-5,8-9,15,18-20,22H,6-7,10-14,16-17H2,1-2H3
InChIKeyIBASUVZLPAHTBW-UHFFFAOYSA-N
XLogP5.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.63
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide (CID 141101656) is 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide is CC1CCC(C(=O)N(CC2CCCN(C)C2)c2csc(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide?
The InChIKey is IBASUVZLPAHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2OS/c1-19-10-12-22(13-11-19)25(28)27(17-20-7-6-14-26(2)16-20)23-15-24(29-18-23)21-8-4-3-5-9-21/h3-5,8-9,15,18-20,22H,6-7,10-14,16-17H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide?
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide has a molecular weight of 410.63 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 141101656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).