1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide

C29H24Cl2N2O3S — CID 67299848

IUPAC1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(-c3ccc(O)cc3)c(-c3ccc(Cl)cc3Cl)s2)CC1
InChIInChI=1S/C29H24Cl2N2O3S/c30-20-8-11-22(24(31)16-20)26-23(18-6-9-21(34)10-7-18)17-25(37-26)27(35)33-14-12-29(13-15-33,28(32)36)19-4-2-1-3-5-19/h1-11,16-17,34H,12-15H2,(H2,32,36)
InChIKeyZCTRNQYUAVLNBI-UHFFFAOYSA-N
MW551.50 g/mol
LogP6.75
Rot. Bonds5

About 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide

1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 67299848) has the molecular formula C29H24Cl2N2O3S and a molecular weight of 551.50 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide
PubChem CID67299848
Molecular FormulaC29H24Cl2N2O3S
Molecular Weight551.50 g/mol
Exact Mass550.09
IUPAC Name1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(-c3ccc(O)cc3)c(-c3ccc(Cl)cc3Cl)s2)CC1
InChIInChI=1S/C29H24Cl2N2O3S/c30-20-8-11-22(24(31)16-20)26-23(18-6-9-21(34)10-7-18)17-25(37-26)27(35)33-14-12-29(13-15-33,28(32)36)19-4-2-1-3-5-19/h1-11,16-17,34H,12-15H2,(H2,32,36)
InChIKeyZCTRNQYUAVLNBI-UHFFFAOYSA-N
XLogP6.75
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.50
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide (CID 67299848) is 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide is NC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(-c3ccc(O)cc3)c(-c3ccc(Cl)cc3Cl)s2)CC1.
What is the InChIKey of 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is ZCTRNQYUAVLNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N2O3S/c30-20-8-11-22(24(31)16-20)26-23(18-6-9-21(34)10-7-18)17-25(37-26)27(35)33-14-12-29(13-15-33,28(32)36)19-4-2-1-3-5-19/h1-11,16-17,34H,12-15H2,(H2,32,36).
What are the key properties of 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide?
1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 551.50 g/mol, XLogP of 6.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carbonyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 67299848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).