4-(2,4-dimethoxyanilino)piperidine-1-carboxamide

C14H21N3O3 — CID 43758070

IUPAC4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
SMILESCOc1ccc(NC2CCN(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-19-11-3-4-12(13(9-11)20-2)16-10-5-7-17(8-6-10)14(15)18/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18)
InChIKeySUVDLJLMLFOFQE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.66
Rot. Bonds4

About 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide

4-(2,4-dimethoxyanilino)piperidine-1-carboxamide (PubChem CID 43758070) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
PubChem CID43758070
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
SMILESCOc1ccc(NC2CCN(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-19-11-3-4-12(13(9-11)20-2)16-10-5-7-17(8-6-10)14(15)18/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18)
InChIKeySUVDLJLMLFOFQE-UHFFFAOYSA-N
XLogP1.66
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136
2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone
CID 47093220
ethyl 4-[[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950268
4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
CID 82858235
4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
CID 81292473
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
methyl 3-[(1-carbamoylpiperidin-4-yl)amino]-2-methylbenzoate
CID 43784592
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
2-(2,4-dimethoxyanilino)cyclobutane-1-carboxylic acid
CID 103231889
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide (CID 43758070) is 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide is COc1ccc(NC2CCN(C(N)=O)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide?
The InChIKey is SUVDLJLMLFOFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-11-3-4-12(13(9-11)20-2)16-10-5-7-17(8-6-10)14(15)18/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18).
What are the key properties of 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide?
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43758070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).