N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide

C29H34N2OS — CID 44526751

IUPACN-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide
SMILESCc1ccccc1C1CCN(C2CCC(NC(=O)c3ccc(-c4ccccc4)s3)CC2)CC1
InChIInChI=1S/C29H34N2OS/c1-21-7-5-6-10-26(21)22-17-19-31(20-18-22)25-13-11-24(12-14-25)30-29(32)28-16-15-27(33-28)23-8-3-2-4-9-23/h2-10,15-16,22,24-25H,11-14,17-20H2,1H3,(H,30,32)
InChIKeyNVUPYQFGGVAQRM-UHFFFAOYSA-N
MW458.67 g/mol
LogP6.64
Rot. Bonds5

About N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide

N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide (PubChem CID 44526751) has the molecular formula C29H34N2OS and a molecular weight of 458.67 g/mol. Its IUPAC name is N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide
PubChem CID44526751
Molecular FormulaC29H34N2OS
Molecular Weight458.67 g/mol
Exact Mass458.24
IUPAC NameN-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide
SMILESCc1ccccc1C1CCN(C2CCC(NC(=O)c3ccc(-c4ccccc4)s3)CC2)CC1
InChIInChI=1S/C29H34N2OS/c1-21-7-5-6-10-26(21)22-17-19-31(20-18-22)25-13-11-24(12-14-25)30-29(32)28-16-15-27(33-28)23-8-3-2-4-9-23/h2-10,15-16,22,24-25H,11-14,17-20H2,1H3,(H,30,32)
InChIKeyNVUPYQFGGVAQRM-UHFFFAOYSA-N
XLogP6.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.67
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide (CID 44526751) is N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide is Cc1ccccc1C1CCN(C2CCC(NC(=O)c3ccc(-c4ccccc4)s3)CC2)CC1.
What is the InChIKey of N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is NVUPYQFGGVAQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2OS/c1-21-7-5-6-10-26(21)22-17-19-31(20-18-22)25-13-11-24(12-14-25)30-29(32)28-16-15-27(33-28)23-8-3-2-4-9-23/h2-10,15-16,22,24-25H,11-14,17-20H2,1H3,(H,30,32).
What are the key properties of N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide?
N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 458.67 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 44526751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).