3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine

C15H18N2O3 — CID 174491487

IUPAC3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine
SMILESCOC1CCCN(c2ccc([N+](=O)[O-])c3c2C=CC3)C1
InChIInChI=1S/C15H18N2O3/c1-20-11-4-3-9-16(10-11)14-7-8-15(17(18)19)13-6-2-5-12(13)14/h2,5,7-8,11H,3-4,6,9-10H2,1H3
InChIKeyJOOAGYKWYZLBQN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.78
Rot. Bonds3

About 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine

3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine (PubChem CID 174491487) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine.

Molecular Properties

Compound Name3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine
PubChem CID174491487
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine
SMILESCOC1CCCN(c2ccc([N+](=O)[O-])c3c2C=CC3)C1
InChIInChI=1S/C15H18N2O3/c1-20-11-4-3-9-16(10-11)14-7-8-15(17(18)19)13-6-2-5-12(13)14/h2,5,7-8,11H,3-4,6,9-10H2,1H3
InChIKeyJOOAGYKWYZLBQN-UHFFFAOYSA-N
XLogP2.78
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 155923727
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CID 174760958
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
3-ethoxy-1-(4-iodo-2-nitrophenyl)piperidine
CID 133274314
2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine
CID 113346471
1-[2-(3-methoxypyrrolidin-1-yl)-5-nitrophenyl]ethanone
CID 103534380
methyl (3S)-1-[5-(hydroxymethyl)-2-nitrophenyl]piperidine-3-carboxylate
CID 133438070
(E)-3-[4-(3-methoxypyrrolidin-1-yl)-3-nitrophenyl]prop-2-enoic acid
CID 103536012
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750
1-(2-nitrophenyl)-3-phenylmethoxypiperidine
CID 166130248
4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 102955794
3-methoxy-1-phenylpiperidine
CID 70382121

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine?
The IUPAC name of 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine (CID 174491487) is 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine.
What is the SMILES notation for 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine?
The canonical SMILES for 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine is COC1CCCN(c2ccc([N+](=O)[O-])c3c2C=CC3)C1.
What is the InChIKey of 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine?
The InChIKey is JOOAGYKWYZLBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-11-4-3-9-16(10-11)14-7-8-15(17(18)19)13-6-2-5-12(13)14/h2,5,7-8,11H,3-4,6,9-10H2,1H3.
What are the key properties of 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine?
3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine has a molecular weight of 274.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(7-nitro-1H-inden-4-yl)piperidine is sourced from PubChem (CID 174491487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).