4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide

C13H18ClN3O2 — CID 43758136

IUPAC4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
SMILESCOc1ccc(NC2CCN(C(N)=O)CC2)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-19-12-3-2-10(8-11(12)14)16-9-4-6-17(7-5-9)13(15)18/h2-3,8-9,16H,4-7H2,1H3,(H2,15,18)
InChIKeyPVLLSZFWUAINNR-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.30
Rot. Bonds3

About 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide

4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide (PubChem CID 43758136) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
PubChem CID43758136
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
SMILESCOc1ccc(NC2CCN(C(N)=O)CC2)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-19-12-3-2-10(8-11(12)14)16-9-4-6-17(7-5-9)13(15)18/h2-3,8-9,16H,4-7H2,1H3,(H2,15,18)
InChIKeyPVLLSZFWUAINNR-UHFFFAOYSA-N
XLogP2.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
methyl N-[3-[(1-carbamoylpiperidin-4-yl)amino]phenyl]carbamate
CID 60942471
4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
CID 82858235
4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide
CID 11431395
2-(3-chloro-4-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28570686
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
CID 43787048
4-[3-(dimethylamino)anilino]piperidine-1-carboxamide
CID 115376468
4-(3-methylsulfanylanilino)piperidine-1-carboxamide
CID 43757325

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide (CID 43758136) is 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide is COc1ccc(NC2CCN(C(N)=O)CC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide?
The InChIKey is PVLLSZFWUAINNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-19-12-3-2-10(8-11(12)14)16-9-4-6-17(7-5-9)13(15)18/h2-3,8-9,16H,4-7H2,1H3,(H2,15,18).
What are the key properties of 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide?
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43758136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).