N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide

C20H26ClN3O3 — CID 131911751

IUPACN-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC(CNC(=O)C2CC2)CC1
InChIInChI=1S/C20H26ClN3O3/c1-13-2-5-16(21)10-17(13)23-18(25)11-19(26)24-8-6-14(7-9-24)12-22-20(27)15-3-4-15/h2,5,10,14-15H,3-4,6-9,11-12H2,1H3,(H,22,27)(H,23,25)
InChIKeyBSBURCUKOSXDSY-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.74
Rot. Bonds6

About N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 131911751) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID131911751
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC(CNC(=O)C2CC2)CC1
InChIInChI=1S/C20H26ClN3O3/c1-13-2-5-16(21)10-17(13)23-18(25)11-19(26)24-8-6-14(7-9-24)12-22-20(27)15-3-4-15/h2,5,10,14-15H,3-4,6-9,11-12H2,1H3,(H,22,27)(H,23,25)
InChIKeyBSBURCUKOSXDSY-UHFFFAOYSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886563
N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007259
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24565591
1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147946
N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798621
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 131911751) is N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide is Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC(CNC(=O)C2CC2)CC1.
What is the InChIKey of N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is BSBURCUKOSXDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-13-2-5-16(21)10-17(13)23-18(25)11-19(26)24-8-6-14(7-9-24)12-22-20(27)15-3-4-15/h2,5,10,14-15H,3-4,6-9,11-12H2,1H3,(H,22,27)(H,23,25).
What are the key properties of N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 391.90 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 131911751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).