N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide

C22H25Cl2N3O4 — CID 43063745

IUPACN-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C22H25Cl2N3O4/c1-30-15-7-9-20(31-2)18(12-15)26-21(28)13-27-10-4-3-5-19(27)22(29)25-14-6-8-16(23)17(24)11-14/h6-9,11-12,19H,3-5,10,13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyHYWSWLUXQZRAEW-UHFFFAOYSA-N
MW466.37 g/mol
LogP4.44
Rot. Bonds7

About N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 43063745) has the molecular formula C22H25Cl2N3O4 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
PubChem CID43063745
Molecular FormulaC22H25Cl2N3O4
Molecular Weight466.37 g/mol
Exact Mass465.12
IUPAC NameN-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C22H25Cl2N3O4/c1-30-15-7-9-20(31-2)18(12-15)26-21(28)13-27-10-4-3-5-19(27)22(29)25-14-6-8-16(23)17(24)11-14/h6-9,11-12,19H,3-5,10,13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyHYWSWLUXQZRAEW-UHFFFAOYSA-N
XLogP4.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063787
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 11930996
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 39013591
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910107
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide (CID 43063745) is N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide is COc1ccc(OC)c(NC(=O)CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is HYWSWLUXQZRAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O4/c1-30-15-7-9-20(31-2)18(12-15)26-21(28)13-27-10-4-3-5-19(27)22(29)25-14-6-8-16(23)17(24)11-14/h6-9,11-12,19H,3-5,10,13H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 43063745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).