N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide

C19H23N3O2 — CID 91676435

IUPACN-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C19H23N3O2/c1-24-18-8-4-3-7-15(18)19(23)21-14-9-10-17(16(20)13-14)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23)
InChIKeyCYHSEJGSOOCJBL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.52
Rot. Bonds4

About N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide

N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide (PubChem CID 91676435) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
PubChem CID91676435
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C19H23N3O2/c1-24-18-8-4-3-7-15(18)19(23)21-14-9-10-17(16(20)13-14)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,20H2,1H3,(H,21,23)
InChIKeyCYHSEJGSOOCJBL-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-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1009742
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42755681
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide?
The IUPAC name of N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide (CID 91676435) is N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(N)c1.
What is the InChIKey of N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide?
The InChIKey is CYHSEJGSOOCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-8-4-3-7-15(18)19(23)21-14-9-10-17(16(20)13-14)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-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide?
N-(3-amino-4-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-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 91676435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).