3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide

C17H25N3O3 — CID 119823365

IUPAC3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCNCC1
InChIInChI=1S/C17H25N3O3/c1-2-12-19(15-8-10-18-11-9-15)17(21)7-6-14-4-3-5-16(13-14)20(22)23/h3-5,13,15,18H,2,6-12H2,1H3
InChIKeyDQLKFIOPBFJWMG-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.52
Rot. Bonds7

About 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide

3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119823365) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119823365
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCNCC1
InChIInChI=1S/C17H25N3O3/c1-2-12-19(15-8-10-18-11-9-15)17(21)7-6-14-4-3-5-16(13-14)20(22)23/h3-5,13,15,18H,2,6-12H2,1H3
InChIKeyDQLKFIOPBFJWMG-UHFFFAOYSA-N
XLogP2.52
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.52
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-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine
CID 60805967
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720
N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide
CID 75361793
N-ethyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55203806
3-ethyl-N-[2-(3-nitrophenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide
CID 118527398
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746
3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide
CID 46906450
4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide (CID 119823365) is 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCNCC1.
What is the InChIKey of 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is DQLKFIOPBFJWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-12-19(15-8-10-18-11-9-15)17(21)7-6-14-4-3-5-16(13-14)20(22)23/h3-5,13,15,18H,2,6-12H2,1H3.
What are the key properties of 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide?
3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 319.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 119823365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).