1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C20H21Cl2N3O2 — CID 17486082

IUPAC1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H21Cl2N3O2/c21-15-6-7-17(22)18(12-15)24-19(26)13-25-10-8-14(9-11-25)20(27)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,27)(H,24,26)
InChIKeyMYDNLIMTEALGGO-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.28
Rot. Bonds5

About 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 17486082) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID17486082
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H21Cl2N3O2/c21-15-6-7-17(22)18(12-15)24-19(26)13-25-10-8-14(9-11-25)20(27)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,27)(H,24,26)
InChIKeyMYDNLIMTEALGGO-UHFFFAOYSA-N
XLogP4.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
2-(4-cyanopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 48940747
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-N-phenylpiperidine-4-carboxamide
CID 26674902

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 17486082) is 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is MYDNLIMTEALGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-15-6-7-17(22)18(12-15)24-19(26)13-25-10-8-14(9-11-25)20(27)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,27)(H,24,26).
What are the key properties of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17486082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).