3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide

C15H21N3O3 — CID 119460321

IUPAC3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
SMILESO=C(CCc1cccc([N+](=O)[O-])c1)NCC1CCCNC1
InChIInChI=1S/C15H21N3O3/c19-15(17-11-13-4-2-8-16-10-13)7-6-12-3-1-5-14(9-12)18(20)21/h1,3,5,9,13,16H,2,4,6-8,10-11H2,(H,17,19)
InChIKeyXUWDJCMNMOFZNJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.64
Rot. Bonds6

About 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide

3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 119460321) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
PubChem CID119460321
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
SMILESO=C(CCc1cccc([N+](=O)[O-])c1)NCC1CCCNC1
InChIInChI=1S/C15H21N3O3/c19-15(17-11-13-4-2-8-16-10-13)7-6-12-3-1-5-14(9-12)18(20)21/h1,3,5,9,13,16H,2,4,6-8,10-11H2,(H,17,19)
InChIKeyXUWDJCMNMOFZNJ-UHFFFAOYSA-N
XLogP1.64
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
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-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 91660403
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
CID 120553171
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
2-iodo-4-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464595
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464316
2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide (CID 119460321) is 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide is O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CCCNC1.
What is the InChIKey of 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is XUWDJCMNMOFZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-15(17-11-13-4-2-8-16-10-13)7-6-12-3-1-5-14(9-12)18(20)21/h1,3,5,9,13,16H,2,4,6-8,10-11H2,(H,17,19).
What are the key properties of 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide?
3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 119460321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).