1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C20H30Cl2N2O3 — CID 112828824

IUPAC1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(CCOc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C20H30Cl2N2O3/c1-15(2)26-12-3-8-23-20(25)16-6-9-24(10-7-16)11-13-27-19-14-17(21)4-5-18(19)22/h4-5,14-16H,3,6-13H2,1-2H3,(H,23,25)
InChIKeyWYHBBKNJOMCYTK-UHFFFAOYSA-N
MW417.38 g/mol
LogP4.02
Rot. Bonds10

About 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 112828824) has the molecular formula C20H30Cl2N2O3 and a molecular weight of 417.38 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID112828824
Molecular FormulaC20H30Cl2N2O3
Molecular Weight417.38 g/mol
Exact Mass416.16
IUPAC Name1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(CCOc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C20H30Cl2N2O3/c1-15(2)26-12-3-8-23-20(25)16-6-9-24(10-7-16)11-13-27-19-14-17(21)4-5-18(19)22/h4-5,14-16H,3,6-13H2,1-2H3,(H,23,25)
InChIKeyWYHBBKNJOMCYTK-UHFFFAOYSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56510035
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 87014166
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 112840866
N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 169317104
1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56509907
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
methyl 2-[(4S)-1-[2-(2,5-dichlorophenoxy)ethyl]azepan-4-yl]acetate
CID 124730726
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 112828824) is 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(CCOc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is WYHBBKNJOMCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Cl2N2O3/c1-15(2)26-12-3-8-23-20(25)16-6-9-24(10-7-16)11-13-27-19-14-17(21)4-5-18(19)22/h4-5,14-16H,3,6-13H2,1-2H3,(H,23,25).
What are the key properties of 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 417.38 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 112828824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).