4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide

C13H19N3O2 — CID 107700221

IUPAC4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
SMILESCc1ccc(NC2CCN(C(N)=O)CC2)cc1O
InChIInChI=1S/C13H19N3O2/c1-9-2-3-11(8-12(9)17)15-10-4-6-16(7-5-10)13(14)18/h2-3,8,10,15,17H,4-7H2,1H3,(H2,14,18)
InChIKeyFUEBYORBGDPCOJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.66
Rot. Bonds2

About 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide

4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide (PubChem CID 107700221) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
PubChem CID107700221
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
SMILESCc1ccc(NC2CCN(C(N)=O)CC2)cc1O
InChIInChI=1S/C13H19N3O2/c1-9-2-3-11(8-12(9)17)15-10-4-6-16(7-5-10)13(14)18/h2-3,8,10,15,17H,4-7H2,1H3,(H2,14,18)
InChIKeyFUEBYORBGDPCOJ-UHFFFAOYSA-N
XLogP1.66
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
CID 43785542
tert-butyl 3-(3-hydroxy-4-methylanilino)pyrrolidine-1-carboxylate
CID 107700672
5-[(4-aminocyclohexyl)amino]-2-methylphenol
CID 107700897
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136
4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
CID 43787048
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
2-methyl-5-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]phenol
CID 107700226
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-hydroxy-4-methylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide (CID 107700221) is 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide is Cc1ccc(NC2CCN(C(N)=O)CC2)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide?
The InChIKey is FUEBYORBGDPCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-2-3-11(8-12(9)17)15-10-4-6-16(7-5-10)13(14)18/h2-3,8,10,15,17H,4-7H2,1H3,(H2,14,18).
What are the key properties of 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide?
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 107700221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).