2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide

C18H24Cl2N2O3 — CID 121021222

IUPAC2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCC1CCN(C2CCOC2)CC1
InChIInChI=1S/C18H24Cl2N2O3/c19-14-1-2-17(16(20)9-14)25-12-18(23)21-10-13-3-6-22(7-4-13)15-5-8-24-11-15/h1-2,9,13,15H,3-8,10-12H2,(H,21,23)
InChIKeyCIAZNSWEVSLJGX-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.99
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 121021222) has the molecular formula C18H24Cl2N2O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
PubChem CID121021222
Molecular FormulaC18H24Cl2N2O3
Molecular Weight387.31 g/mol
Exact Mass386.12
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCC1CCN(C2CCOC2)CC1
InChIInChI=1S/C18H24Cl2N2O3/c19-14-1-2-17(16(20)9-14)25-12-18(23)21-10-13-3-6-22(7-4-13)15-5-8-24-11-15/h1-2,9,13,15H,3-8,10-12H2,(H,21,23)
InChIKeyCIAZNSWEVSLJGX-UHFFFAOYSA-N
XLogP2.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 126853022
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 90567515
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 119104055
2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide
CID 119104046
2-cyano-N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922055
tert-butyl N-[3-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919320
4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 61379355
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921961
2-(2,4-dichlorophenoxy)-N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40895841

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide (CID 121021222) is 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCC1CCN(C2CCOC2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CIAZNSWEVSLJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3/c19-14-1-2-17(16(20)9-14)25-12-18(23)21-10-13-3-6-22(7-4-13)15-5-8-24-11-15/h1-2,9,13,15H,3-8,10-12H2,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 387.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 121021222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).