4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide

C28H30ClN3O2S — CID 134263537

IUPAC4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)ccn1
InChIInChI=1S/C28H30ClN3O2S/c29-24-15-20(28(34)32-13-5-2-6-14-32)9-10-23(24)21-17-26(35-18-21)19-11-12-30-25(16-19)27(33)31-22-7-3-1-4-8-22/h9-12,15-18,22H,1-8,13-14H2,(H,31,33)
InChIKeyJAFVZRFYKXEOKM-UHFFFAOYSA-N
MW508.09 g/mol
LogP6.82
Rot. Bonds5

About 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide

4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide (PubChem CID 134263537) has the molecular formula C28H30ClN3O2S and a molecular weight of 508.09 g/mol. Its IUPAC name is 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide
PubChem CID134263537
Molecular FormulaC28H30ClN3O2S
Molecular Weight508.09 g/mol
Exact Mass507.17
IUPAC Name4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)ccn1
InChIInChI=1S/C28H30ClN3O2S/c29-24-15-20(28(34)32-13-5-2-6-14-32)9-10-23(24)21-17-26(35-18-21)19-11-12-30-25(16-19)27(33)31-22-7-3-1-4-8-22/h9-12,15-18,22H,1-8,13-14H2,(H,31,33)
InChIKeyJAFVZRFYKXEOKM-UHFFFAOYSA-N
XLogP6.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.09
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide (CID 134263537) is 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide is O=C(NC1CCCCC1)c1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)cs2)ccn1.
What is the InChIKey of 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is JAFVZRFYKXEOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2S/c29-24-15-20(28(34)32-13-5-2-6-14-32)9-10-23(24)21-17-26(35-18-21)19-11-12-30-25(16-19)27(33)31-22-7-3-1-4-8-22/h9-12,15-18,22H,1-8,13-14H2,(H,31,33).
What are the key properties of 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide?
4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 508.09 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-chloro-4-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 134263537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).