2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide

C14H18Cl2N2O2 — CID 119386601

IUPAC2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC1CCNCC1
InChIInChI=1S/C14H18Cl2N2O2/c1-9(14(19)18-10-4-6-17-7-5-10)20-11-2-3-12(15)13(16)8-11/h2-3,8-10,17H,4-7H2,1H3,(H,18,19)
InChIKeyGTWKUAJFQQPYHZ-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.63
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide

2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide (PubChem CID 119386601) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
PubChem CID119386601
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC1CCNCC1
InChIInChI=1S/C14H18Cl2N2O2/c1-9(14(19)18-10-4-6-17-7-5-10)20-11-2-3-12(15)13(16)8-11/h2-3,8-10,17H,4-7H2,1H3,(H,18,19)
InChIKeyGTWKUAJFQQPYHZ-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600845
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride
CID 119389266
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 106500745
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride
CID 119477645

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide (CID 119386601) is 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC1CCNCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide?
The InChIKey is GTWKUAJFQQPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9(14(19)18-10-4-6-17-7-5-10)20-11-2-3-12(15)13(16)8-11/h2-3,8-10,17H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide?
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide has a molecular weight of 317.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119386601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).