N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide

C23H21ClF2N4O2 — CID 121318050

IUPACN-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide
SMILESCn1cncc1-c1cccc(C(=O)N2CC(C(=O)Nc3ccc(Cl)cc3)CC(F)(F)C2)c1
InChIInChI=1S/C23H21ClF2N4O2/c1-29-14-27-11-20(29)15-3-2-4-16(9-15)22(32)30-12-17(10-23(25,26)13-30)21(31)28-19-7-5-18(24)6-8-19/h2-9,11,14,17H,10,12-13H2,1H3,(H,28,31)
InChIKeyYIQKIAIKWXCHMQ-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.48
Rot. Bonds4

About N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide

N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 121318050) has the molecular formula C23H21ClF2N4O2 and a molecular weight of 458.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide
PubChem CID121318050
Molecular FormulaC23H21ClF2N4O2
Molecular Weight458.90 g/mol
Exact Mass458.13
IUPAC NameN-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide
SMILESCn1cncc1-c1cccc(C(=O)N2CC(C(=O)Nc3ccc(Cl)cc3)CC(F)(F)C2)c1
InChIInChI=1S/C23H21ClF2N4O2/c1-29-14-27-11-20(29)15-3-2-4-16(9-15)22(32)30-12-17(10-23(25,26)13-30)21(31)28-19-7-5-18(24)6-8-19/h2-9,11,14,17H,10,12-13H2,1H3,(H,28,31)
InChIKeyYIQKIAIKWXCHMQ-UHFFFAOYSA-N
XLogP4.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide (CID 121318050) is N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide is Cn1cncc1-c1cccc(C(=O)N2CC(C(=O)Nc3ccc(Cl)cc3)CC(F)(F)C2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is YIQKIAIKWXCHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N4O2/c1-29-14-27-11-20(29)15-3-2-4-16(9-15)22(32)30-12-17(10-23(25,26)13-30)21(31)28-19-7-5-18(24)6-8-19/h2-9,11,14,17H,10,12-13H2,1H3,(H,28,31).
What are the key properties of N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide?
N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 458.90 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5,5-difluoro-1-[3-(3-methylimidazol-4-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 121318050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).