N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide

C20H23N3O4 — CID 21102223

IUPACN-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O4/c1-27-18-9-5-8-17(23(25)26)19(18)20(24)21-16-10-12-22(13-11-16)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3,(H,21,24)
InChIKeyDYYFEQPKROBPMO-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.00
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide

N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide (PubChem CID 21102223) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
PubChem CID21102223
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O4/c1-27-18-9-5-8-17(23(25)26)19(18)20(24)21-16-10-12-22(13-11-16)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3,(H,21,24)
InChIKeyDYYFEQPKROBPMO-UHFFFAOYSA-N
XLogP3.00
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
CID 15167739
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349
2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide
CID 81420832
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355
ethyl 3-[(1-benzylpiperidin-4-yl)carbamoyl]-5-nitrobenzoate
CID 46798638
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide (CID 21102223) is N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide is COc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide?
The InChIKey is DYYFEQPKROBPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-27-18-9-5-8-17(23(25)26)19(18)20(24)21-16-10-12-22(13-11-16)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3,(H,21,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide?
N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide has a molecular weight of 369.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide is sourced from PubChem (CID 21102223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).