N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide

C17H23N3O3 — CID 23738990

IUPACN-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O3/c21-17(18-14-6-2-3-7-14)13-8-9-15(16(12-13)20(22)23)19-10-4-1-5-11-19/h8-9,12,14H,1-7,10-11H2,(H,18,21)
InChIKeyBDIJFKPPLBYBAX-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.26
Rot. Bonds4

About N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide

N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide (PubChem CID 23738990) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
PubChem CID23738990
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H23N3O3/c21-17(18-14-6-2-3-7-14)13-8-9-15(16(12-13)20(22)23)19-10-4-1-5-11-19/h8-9,12,14H,1-7,10-11H2,(H,18,21)
InChIKeyBDIJFKPPLBYBAX-UHFFFAOYSA-N
XLogP3.26
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.26
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

N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
N-[2-(cycloheptylamino)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 119619877
N-(1-ethylpiperidin-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30768197
1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]azetidine-3-carboxylic acid
CID 122064632
[2-(cyclohexylamino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 4029710
(2R)-1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid
CID 120965117
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-nitro-4-piperidin-1-ylbenzoate
CID 7378878
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 42902111
3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
CID 4806694
N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide
CID 102367915
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide?
The IUPAC name of N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide (CID 23738990) is N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide is O=C(NC1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide?
The InChIKey is BDIJFKPPLBYBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(18-14-6-2-3-7-14)13-8-9-15(16(12-13)20(22)23)19-10-4-1-5-11-19/h8-9,12,14H,1-7,10-11H2,(H,18,21).
What are the key properties of N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide?
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 23738990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).