N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide

C19H23N3O — CID 91675423

IUPACN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
SMILESCC1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-14-7-5-6-12-22(14)18-11-10-16(20)13-17(18)21-19(23)15-8-3-2-4-9-15/h2-4,8-11,13-14H,5-7,12,20H2,1H3,(H,21,23)
InChIKeyWURILGTUCNJEHP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.90
Rot. Bonds3

About N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide

N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 91675423) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID91675423
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
SMILESCC1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-14-7-5-6-12-22(14)18-11-10-16(20)13-17(18)21-19(23)15-8-3-2-4-9-15/h2-4,8-11,13-14H,5-7,12,20H2,1H3,(H,21,23)
InChIKeyWURILGTUCNJEHP-UHFFFAOYSA-N
XLogP3.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.90
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-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 91675417
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
CID 100803151
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide
CID 91675384

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide (CID 91675423) is N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide is CC1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is WURILGTUCNJEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-7-5-6-12-22(14)18-11-10-16(20)13-17(18)21-19(23)15-8-3-2-4-9-15/h2-4,8-11,13-14H,5-7,12,20H2,1H3,(H,21,23).
What are the key properties of N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide?
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 91675423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).