3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide

C15H21N3O3 — CID 4806694

IUPAC3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-11(2)16-15(19)12-6-7-13(14(10-12)18(20)21)17-8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyVGBPSKGLNFRCOR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.72
Rot. Bonds4

About 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide

3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide (PubChem CID 4806694) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
PubChem CID4806694
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-11(2)16-15(19)12-6-7-13(14(10-12)18(20)21)17-8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyVGBPSKGLNFRCOR-UHFFFAOYSA-N
XLogP2.72
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.72
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

4-(4-methylpiperazin-1-yl)-3-nitro-N-propan-2-ylbenzamide
CID 35869005
4-(azepan-1-yl)-3-nitro-N-pentan-3-ylbenzamide
CID 7922673
4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide
CID 35919851
1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxylic acid
CID 122048628
(2S)-4-methyl-2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]pentanoic acid
CID 119361821
4-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-3-nitro-N-propan-2-ylbenzamide
CID 133354982
(2R)-1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxylic acid
CID 122051881
N-(1-hydroxybutan-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 110878190
N-[(1S)-1-(1-adamantyl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 7319840
4-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3-nitro-N-propan-2-ylbenzamide
CID 133272250
4-(azepan-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide
CID 7922524
N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitrobenzamide
CID 7406902

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide?
The IUPAC name of 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide (CID 4806694) is 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide?
The InChIKey is VGBPSKGLNFRCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(2)16-15(19)12-6-7-13(14(10-12)18(20)21)17-8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,19).
What are the key properties of 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide?
3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide is sourced from PubChem (CID 4806694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).