N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide

C22H24Cl2N4O3 — CID 43063787

IUPACN-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H24Cl2N4O3/c1-25-21(30)14-5-7-15(8-6-14)26-20(29)13-28-11-3-2-4-19(28)22(31)27-16-9-10-17(23)18(24)12-16/h5-10,12,19H,2-4,11,13H2,1H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyJATHIXNVBRQBCA-UHFFFAOYSA-N
MW463.37 g/mol
LogP3.78
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 43063787) has the molecular formula C22H24Cl2N4O3 and a molecular weight of 463.37 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID43063787
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC NameN-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H24Cl2N4O3/c1-25-21(30)14-5-7-15(8-6-14)26-20(29)13-28-11-3-2-4-19(28)22(31)27-16-9-10-17(23)18(24)12-16/h5-10,12,19H,2-4,11,13H2,1H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyJATHIXNVBRQBCA-UHFFFAOYSA-N
XLogP3.78
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 39013591
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
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 43063745
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-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61372018
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide (CID 43063787) is N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide is CNC(=O)c1ccc(NC(=O)CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is JATHIXNVBRQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3/c1-25-21(30)14-5-7-15(8-6-14)26-20(29)13-28-11-3-2-4-19(28)22(31)27-16-9-10-17(23)18(24)12-16/h5-10,12,19H,2-4,11,13H2,1H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 463.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 43063787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).