N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

C18H17ClF2N2O2 — CID 23072136

IUPACN-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17ClF2N2O2/c19-13-9-15(21)11-16(10-13)22-17(24)23-7-5-18(25,6-8-23)12-1-3-14(20)4-2-12/h1-4,9-11,25H,5-8H2,(H,22,24)
InChIKeyHQTFIBROPUDXCI-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.13
Rot. Bonds2

About N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 23072136) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID23072136
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC NameN-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17ClF2N2O2/c19-13-9-15(21)11-16(10-13)22-17(24)23-7-5-18(25,6-8-23)12-1-3-14(20)4-2-12/h1-4,9-11,25H,5-8H2,(H,22,24)
InChIKeyHQTFIBROPUDXCI-UHFFFAOYSA-N
XLogP4.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072100
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
N-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenoxy)phenyl]-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 90309054
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide
CID 23072023
4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 90309190
N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23072101
N-[3-chloro-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide
CID 118728426
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
4-cyclopentyl-N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072018
N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide
CID 86816888

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide (CID 23072136) is N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is HQTFIBROPUDXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c19-13-9-15(21)11-16(10-13)22-17(24)23-7-5-18(25,6-8-23)12-1-3-14(20)4-2-12/h1-4,9-11,25H,5-8H2,(H,22,24).
What are the key properties of N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23072136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).