4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide

C18H24Cl2N2O3 — CID 126766845

IUPAC4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N2O3/c19-14-9-15(20)11-17(10-14)25-12-13-1-5-22(6-2-13)18(23)21-16-3-7-24-8-4-16/h9-11,13,16H,1-8,12H2,(H,21,23)
InChIKeyKWGPJGSZMZTMQF-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.97
Rot. Bonds4

About 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide

4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 126766845) has the molecular formula C18H24Cl2N2O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID126766845
Molecular FormulaC18H24Cl2N2O3
Molecular Weight387.31 g/mol
Exact Mass386.12
IUPAC Name4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N2O3/c19-14-9-15(20)11-17(10-14)25-12-13-1-5-22(6-2-13)18(23)21-16-3-7-24-8-4-16/h9-11,13,16H,1-8,12H2,(H,21,23)
InChIKeyKWGPJGSZMZTMQF-UHFFFAOYSA-N
XLogP3.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119333514
4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089
(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one
CID 119333509
1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 119801029
3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 154576121
3-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119801036
3-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120501507
3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216069
4-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-3-methoxybutan-1-one
CID 120593194
4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 154576239
N-[1-[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperidin-4-yl]morpholine-4-carboxamide
CID 53391438
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide (CID 126766845) is 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is KWGPJGSZMZTMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3/c19-14-9-15(20)11-17(10-14)25-12-13-1-5-22(6-2-13)18(23)21-16-3-7-24-8-4-16/h9-11,13,16H,1-8,12H2,(H,21,23).
What are the key properties of 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide has a molecular weight of 387.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126766845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).