N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide

C13H16Cl2N2O2 — CID 108880950

IUPACN-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide
SMILESO=C(NCOc1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-4-5-12(11(15)8-10)19-9-16-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)
InChIKeyIWMCMSSUZNVTBY-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.53
Rot. Bonds3

About N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide

N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide (PubChem CID 108880950) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide
PubChem CID108880950
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide
SMILESO=C(NCOc1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-4-5-12(11(15)8-10)19-9-16-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)
InChIKeyIWMCMSSUZNVTBY-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichlorophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108881016
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889
1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403003
N-[(2,4-dichlorophenoxy)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108881051
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide (CID 108880950) is N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide is O=C(NCOc1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide?
The InChIKey is IWMCMSSUZNVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-10-4-5-12(11(15)8-10)19-9-16-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18).
What are the key properties of N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide?
N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 108880950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).