N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide

C19H23N3O2 — CID 91675480

IUPACN-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N)ccc1N1CCCCC1
InChIInChI=1S/C19H23N3O2/c1-24-18-8-4-3-7-15(18)19(23)21-16-13-14(20)9-10-17(16)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23)
InChIKeyCYQZCOSHWMARCJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.52
Rot. Bonds4

About N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide

N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide (PubChem CID 91675480) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
PubChem CID91675480
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N)ccc1N1CCCCC1
InChIInChI=1S/C19H23N3O2/c1-24-18-8-4-3-7-15(18)19(23)21-16-13-14(20)9-10-17(16)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23)
InChIKeyCYQZCOSHWMARCJ-UHFFFAOYSA-N
XLogP3.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2965786
N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide
CID 15990188
N-(5-amino-2-pyrrolidin-1-ylphenyl)naphthalene-1-carboxamide
CID 91675506
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
2,4-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 6457289
N-(4-amino-2-hydroxyphenyl)-2-methoxybenzamide
CID 51063245
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 4896727

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide?
The IUPAC name of N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide (CID 91675480) is N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide?
The canonical SMILES for N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(N)ccc1N1CCCCC1.
What is the InChIKey of N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide?
The InChIKey is CYQZCOSHWMARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-8-4-3-7-15(18)19(23)21-16-13-14(20)9-10-17(16)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23).
What are the key properties of N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide?
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 91675480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).