3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide

C22H27Cl2N3O3 — CID 10161188

IUPAC3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
SMILESNCCOc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C22H27Cl2N3O3/c23-20-5-4-19(15-21(20)24)30-17-6-10-27(11-7-17)12-9-26-22(28)16-2-1-3-18(14-16)29-13-8-25/h1-5,14-15,17H,6-13,25H2,(H,26,28)
InChIKeyNPWHVGCYOALPRS-UHFFFAOYSA-N
MW452.38 g/mol
LogP3.60
Rot. Bonds9

About 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide

3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide (PubChem CID 10161188) has the molecular formula C22H27Cl2N3O3 and a molecular weight of 452.38 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
PubChem CID10161188
Molecular FormulaC22H27Cl2N3O3
Molecular Weight452.38 g/mol
Exact Mass451.14
IUPAC Name3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
SMILESNCCOc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C22H27Cl2N3O3/c23-20-5-4-19(15-21(20)24)30-17-6-10-27(11-7-17)12-9-26-22(28)16-2-1-3-18(14-16)29-13-8-25/h1-5,14-15,17H,6-13,25H2,(H,26,28)
InChIKeyNPWHVGCYOALPRS-UHFFFAOYSA-N
XLogP3.60
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42527160
2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 10163831
3-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42216218

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide (CID 10161188) is 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide is NCCOc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide?
The InChIKey is NPWHVGCYOALPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O3/c23-20-5-4-19(15-21(20)24)30-17-6-10-27(11-7-17)12-9-26-22(28)16-2-1-3-18(14-16)29-13-8-25/h1-5,14-15,17H,6-13,25H2,(H,26,28).
What are the key properties of 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide?
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide has a molecular weight of 452.38 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 10161188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).