1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide

C17H22Cl2N2O3 — CID 49403003

IUPAC1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H22Cl2N2O3/c1-2-7-20-17(23)12-4-3-8-21(10-12)16(22)11-24-15-6-5-13(18)9-14(15)19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23)
InChIKeyBVGGYICKWLKEBU-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.14
Rot. Bonds6

About 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide

1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide (PubChem CID 49403003) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
PubChem CID49403003
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Name1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H22Cl2N2O3/c1-2-7-20-17(23)12-4-3-8-21(10-12)16(22)11-24-15-6-5-13(18)9-14(15)19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23)
InChIKeyBVGGYICKWLKEBU-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide
CID 97141170
1-[2-(2-bromo-4-chlorophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793924
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119592635
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
CID 49403155
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
N-(2-aminoethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxamide
CID 119480111
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide
CID 134003439

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide (CID 49403003) is 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is BVGGYICKWLKEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-2-7-20-17(23)12-4-3-8-21(10-12)16(22)11-24-15-6-5-13(18)9-14(15)19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23).
What are the key properties of 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide?
1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 373.28 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49403003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).