2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide

C16H23ClN2O2 — CID 79700188

IUPAC2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C)CC1CCNCC1
InChIInChI=1S/C16H23ClN2O2/c1-12(21-15-5-3-4-14(17)10-15)16(20)19(2)11-13-6-8-18-9-7-13/h3-5,10,12-13,18H,6-9,11H2,1-2H3
InChIKeyRAOCFZXCEUVMDM-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.57
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide

2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide (PubChem CID 79700188) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
PubChem CID79700188
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C)CC1CCNCC1
InChIInChI=1S/C16H23ClN2O2/c1-12(21-15-5-3-4-14(17)10-15)16(20)19(2)11-13-6-8-18-9-7-13/h3-5,10,12-13,18H,6-9,11H2,1-2H3
InChIKeyRAOCFZXCEUVMDM-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(piperidin-4-ylmethyl)propanamide
CID 171911317
N-(cyclopropylmethyl)-N-methyl-2-(4-phenylphenoxy)propanamide
CID 60532842
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119716831
(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112815493
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide (CID 79700188) is 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)N(C)CC1CCNCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
The InChIKey is RAOCFZXCEUVMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12(21-15-5-3-4-14(17)10-15)16(20)19(2)11-13-6-8-18-9-7-13/h3-5,10,12-13,18H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide is sourced from PubChem (CID 79700188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).