2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C19H21N3O3 — CID 925691

IUPAC2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O3/c23-19(17-6-2-3-7-18(17)22(24)25)20-16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2,(H,20,23)
InChIKeyRGNXVOVOGXDZFZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.83
Rot. Bonds5

About 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 925691) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID925691
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O3/c23-19(17-6-2-3-7-18(17)22(24)25)20-16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2,(H,20,23)
InChIKeyRGNXVOVOGXDZFZ-UHFFFAOYSA-N
XLogP3.83
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 141275172
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-methyl-2-nitrobenzamide
CID 46428530
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244
4-(dimethylamino)-3-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 108739278
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
4-(azepan-1-ylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43924817
4-(4-methylpiperazin-1-yl)-3-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 108739279
2-nitro-N-piperidin-1-ylbenzamide
CID 17163930
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-nitrobenzamide
CID 55634194
2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525812

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 925691) is 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is RGNXVOVOGXDZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(17-6-2-3-7-18(17)22(24)25)20-16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2,(H,20,23).
What are the key properties of 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 925691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).