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

C19H27N3O3 — CID 7312159

IUPACN-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H27N3O3/c23-19(20-16-8-4-1-2-5-9-16)15-10-11-17(18(14-15)22(24)25)21-12-6-3-7-13-21/h10-11,14,16H,1-9,12-13H2,(H,20,23)
InChIKeyDSBHLPIGGUNZIA-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.04
Rot. Bonds4

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

N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide (PubChem CID 7312159) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
PubChem CID7312159
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H27N3O3/c23-19(20-16-8-4-1-2-5-9-16)15-10-11-17(18(14-15)22(24)25)21-12-6-3-7-13-21/h10-11,14,16H,1-9,12-13H2,(H,20,23)
InChIKeyDSBHLPIGGUNZIA-UHFFFAOYSA-N
XLogP4.04
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.04
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-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
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
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 42902111
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-nitro-4-piperidin-1-ylbenzoate
CID 7378878
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-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide?
The IUPAC name of N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide (CID 7312159) is N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide is O=C(NC1CCCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide?
The InChIKey is DSBHLPIGGUNZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-19(20-16-8-4-1-2-5-9-16)15-10-11-17(18(14-15)22(24)25)21-12-6-3-7-13-21/h10-11,14,16H,1-9,12-13H2,(H,20,23).
What are the key properties of N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide?
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 7312159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).