4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide

C22H32Cl2N4O3 — CID 60543757

IUPAC4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C22H32Cl2N4O3/c1-4-11-28(15-20(29)25-19-14-17(23)7-8-18(19)24)21(30)16-9-12-27(13-10-16)22(31)26(5-2)6-3/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,25,29)
InChIKeyAKOWVYMVBOLJOZ-UHFFFAOYSA-N
MW471.43 g/mol
LogP4.34
Rot. Bonds8

About 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide

4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide (PubChem CID 60543757) has the molecular formula C22H32Cl2N4O3 and a molecular weight of 471.43 g/mol. Its IUPAC name is 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide
PubChem CID60543757
Molecular FormulaC22H32Cl2N4O3
Molecular Weight471.43 g/mol
Exact Mass470.19
IUPAC Name4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C22H32Cl2N4O3/c1-4-11-28(15-20(29)25-19-14-17(23)7-8-18(19)24)21(30)16-9-12-27(13-10-16)22(31)26(5-2)6-3/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,25,29)
InChIKeyAKOWVYMVBOLJOZ-UHFFFAOYSA-N
XLogP4.34
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
tert-butyl 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]piperidine-1-carboxylate
CID 55388595
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
(2S,5R)-5-(aminomethyl)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyloxolane-2-carboxamide;hydrochloride
CID 120783767
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide
CID 55328616
N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
CID 55666998
4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide (CID 60543757) is 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1CCN(C(=O)N(CC)CC)CC1.
What is the InChIKey of 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide?
The InChIKey is AKOWVYMVBOLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Cl2N4O3/c1-4-11-28(15-20(29)25-19-14-17(23)7-8-18(19)24)21(30)16-9-12-27(13-10-16)22(31)26(5-2)6-3/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,25,29).
What are the key properties of 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide?
4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide has a molecular weight of 471.43 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-N,1-N-diethyl-4-N-propylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 60543757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).