3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide

C14H19N3O2 — CID 171662832

IUPAC3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2cc(N)cc(C(N)=O)c2)C1
InChIInChI=1S/C14H19N3O2/c1-9-3-2-4-17(8-9)14(19)11-5-10(13(16)18)6-12(15)7-11/h5-7,9H,2-4,8,15H2,1H3,(H2,16,18)
InChIKeyRQXLOJLQZIGEMU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.24
Rot. Bonds2

About 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide

3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide (PubChem CID 171662832) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound Name3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide
PubChem CID171662832
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2cc(N)cc(C(N)=O)c2)C1
InChIInChI=1S/C14H19N3O2/c1-9-3-2-4-17(8-9)14(19)11-5-10(13(16)18)6-12(15)7-11/h5-7,9H,2-4,8,15H2,1H3,(H2,16,18)
InChIKeyRQXLOJLQZIGEMU-UHFFFAOYSA-N
XLogP1.24
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.24
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

[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092592
(3-amino-5-methylsulfonylphenyl)-(4-methylazepan-1-yl)methanone
CID 63623305
methyl 3-amino-5-[3-(trifluoromethyl)piperidine-1-carbonyl]benzoate
CID 171662797
(3-amino-5-ethoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092691
2-[2,6-dimethoxy-4-(3-methylpiperidine-1-carbonyl)phenoxy]acetamide
CID 51265105
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(3-bromo-4,5-difluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 172646628

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide (CID 171662832) is 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide is CC1CCCN(C(=O)c2cc(N)cc(C(N)=O)c2)C1.
What is the InChIKey of 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is RQXLOJLQZIGEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-3-2-4-17(8-9)14(19)11-5-10(13(16)18)6-12(15)7-11/h5-7,9H,2-4,8,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide?
3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 171662832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).