(2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide

C17H22Cl2N4O3 — CID 8551761

IUPAC(2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C17H22Cl2N4O3/c1-22(9-15(24)21-11-5-6-12(18)13(19)8-11)10-16(25)23-7-3-2-4-14(23)17(20)26/h5-6,8,14H,2-4,7,9-10H2,1H3,(H2,20,26)(H,21,24)/t14-/m1/s1
InChIKeyAGVYPHLVTWCBJN-CQSZACIVSA-N
MW401.29 g/mol
LogP1.73
Rot. Bonds6

About (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide

(2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide (PubChem CID 8551761) has the molecular formula C17H22Cl2N4O3 and a molecular weight of 401.29 g/mol. Its IUPAC name is (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide
PubChem CID8551761
Molecular FormulaC17H22Cl2N4O3
Molecular Weight401.29 g/mol
Exact Mass400.11
IUPAC Name(2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N1CCCC[C@@H]1C(N)=O
InChIInChI=1S/C17H22Cl2N4O3/c1-22(9-15(24)21-11-5-6-12(18)13(19)8-11)10-16(25)23-7-3-2-4-14(23)17(20)26/h5-6,8,14H,2-4,7,9-10H2,1H3,(H2,20,26)(H,21,24)/t14-/m1/s1
InChIKeyAGVYPHLVTWCBJN-CQSZACIVSA-N
XLogP1.73
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9198274
(3S)-1-[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
CID 8815954
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42904904
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 116652760
N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide
CID 124758452
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide (CID 8551761) is (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N1CCCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide?
The InChIKey is AGVYPHLVTWCBJN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22Cl2N4O3/c1-22(9-15(24)21-11-5-6-12(18)13(19)8-11)10-16(25)23-7-3-2-4-14(23)17(20)26/h5-6,8,14H,2-4,7,9-10H2,1H3,(H2,20,26)(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide?
(2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide has a molecular weight of 401.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 8551761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).