N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide

C22H21ClN2O2 — CID 23072023

IUPACN-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(O)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H21ClN2O2/c23-19-6-3-7-20(15-19)24-21(26)25-12-10-22(27,11-13-25)18-9-8-16-4-1-2-5-17(16)14-18/h1-9,14-15,27H,10-13H2,(H,24,26)
InChIKeyGOUADJFYNOIARY-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.01
Rot. Bonds2

About N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide

N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide (PubChem CID 23072023) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide
PubChem CID23072023
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(O)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H21ClN2O2/c23-19-6-3-7-20(15-19)24-21(26)25-12-10-22(27,11-13-25)18-9-8-16-4-1-2-5-17(16)14-18/h1-9,14-15,27H,10-13H2,(H,24,26)
InChIKeyGOUADJFYNOIARY-UHFFFAOYSA-N
XLogP5.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803
N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride
CID 169490415
N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072136
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072100
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072025
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide (CID 23072023) is N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(O)(c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide?
The InChIKey is GOUADJFYNOIARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-19-6-3-7-20(15-19)24-21(26)25-12-10-22(27,11-13-25)18-9-8-16-4-1-2-5-17(16)14-18/h1-9,14-15,27H,10-13H2,(H,24,26).
What are the key properties of N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide?
N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 23072023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).