azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone

C15H19N3O3 — CID 78803930

IUPACazetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC1
InChIInChI=1S/C15H19N3O3/c19-15(17-8-3-9-17)12-6-10-16(11-7-12)13-4-1-2-5-14(13)18(20)21/h1-2,4-5,12H,3,6-11H2
InChIKeyYGCXRVXTLJARRO-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.04
Rot. Bonds3

About azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone

azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone (PubChem CID 78803930) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
PubChem CID78803930
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nameazetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC1
InChIInChI=1S/C15H19N3O3/c19-15(17-8-3-9-17)12-6-10-16(11-7-12)13-4-1-2-5-14(13)18(20)21/h1-2,4-5,12H,3,6-11H2
InChIKeyYGCXRVXTLJARRO-UHFFFAOYSA-N
XLogP2.04
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
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

[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
(3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 110878633
(4-benzyl-1,4-diazepan-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 16613193
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 40954386
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 16613256
[2-(azepan-1-yl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46794254
[(1S)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 99785185
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-nitrobenzonitrile
CID 133478535
1-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-nitrophenyl]ethanone
CID 26437045
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
N-(1,3-benzodioxol-5-yl)-1-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 41283279
ethane;1-(2-nitrophenyl)piperidine
CID 177332919

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone (CID 78803930) is azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone?
The InChIKey is YGCXRVXTLJARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-15(17-8-3-9-17)12-6-10-16(11-7-12)13-4-1-2-5-14(13)18(20)21/h1-2,4-5,12H,3,6-11H2.
What are the key properties of azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone?
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone has a molecular weight of 289.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone is sourced from PubChem (CID 78803930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).