N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide

C15H20Cl2N2O2 — CID 111539033

IUPACN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-19-4-2-10(3-5-19)15(21)18-9-14(20)11-6-12(16)8-13(17)7-11/h6-8,10,14,20H,2-5,9H2,1H3,(H,18,21)
InChIKeyNPJROVIQBILSJO-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide

N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 111539033) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide
PubChem CID111539033
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-19-4-2-10(3-5-19)15(21)18-9-14(20)11-6-12(16)8-13(17)7-11/h6-8,10,14,20H,2-5,9H2,1H3,(H,18,21)
InChIKeyNPJROVIQBILSJO-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 96501089
N-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 74241723
3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119792588
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
cis-(1R,3S)-3-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065623
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 120793942
trans-(1S,2S)-N-[(2R)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-nitrocyclopropane-1-carboxamide
CID 95630200
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 82116875
N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110864208
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethylsulfanylpropanamide
CID 111427466
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide (CID 111539033) is N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NCC(O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is NPJROVIQBILSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-19-4-2-10(3-5-19)15(21)18-9-14(20)11-6-12(16)8-13(17)7-11/h6-8,10,14,20H,2-5,9H2,1H3,(H,18,21).
What are the key properties of N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide?
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 111539033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).