N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide

C15H19Cl2N3O2 — CID 95350092

IUPACN'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide
SMILESCN1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-20-6-2-3-10(9-20)8-18-14(21)15(22)19-11-4-5-12(16)13(17)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)/t10-/m1/s1
InChIKeyDCHSHUPGCLSKRD-SNVBAGLBSA-N
MW344.24 g/mol
LogP2.39
Rot. Bonds3

About N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide

N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide (PubChem CID 95350092) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide
PubChem CID95350092
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC NameN'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide
SMILESCN1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c1-20-6-2-3-10(9-20)8-18-14(21)15(22)19-11-4-5-12(16)13(17)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)/t10-/m1/s1
InChIKeyDCHSHUPGCLSKRD-SNVBAGLBSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886530
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 103765330
3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 62173834
N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide
CID 95197793
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
1-(3,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 3687659
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide (CID 95350092) is N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide is CN1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide?
The InChIKey is DCHSHUPGCLSKRD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-20-6-2-3-10(9-20)8-18-14(21)15(22)19-11-4-5-12(16)13(17)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)/t10-/m1/s1.
What are the key properties of N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide?
N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide has a molecular weight of 344.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide is sourced from PubChem (CID 95350092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).