N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide

C13H19N3O2 — CID 79155990

IUPACN-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(N)c(NC(=O)N2CCCCC2)c1
InChIInChI=1S/C13H19N3O2/c1-18-10-5-6-11(14)12(9-10)15-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,17)
InChIKeySZPVHECFVWFTBJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.30
Rot. Bonds2

About N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide

N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 79155990) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
PubChem CID79155990
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(N)c(NC(=O)N2CCCCC2)c1
InChIInChI=1S/C13H19N3O2/c1-18-10-5-6-11(14)12(9-10)15-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,17)
InChIKeySZPVHECFVWFTBJ-UHFFFAOYSA-N
XLogP2.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 113304995
N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide
CID 112557540
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 115411987
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide (CID 79155990) is N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(N)c(NC(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is SZPVHECFVWFTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-10-5-6-11(14)12(9-10)15-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide?
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 79155990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).