(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone

C12H15N3O3 — CID 25219406

IUPAC(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H15N3O3/c13-10-5-7-14(8-6-10)12(16)9-1-3-11(4-2-9)15(17)18/h1-4,10H,5-8,13H2
InChIKeyHTIFOGZDWMKLPQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.16
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone

(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone (PubChem CID 25219406) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
PubChem CID25219406
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
SMILESNC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H15N3O3/c13-10-5-7-14(8-6-10)12(16)9-1-3-11(4-2-9)15(17)18/h1-4,10H,5-8,13H2
InChIKeyHTIFOGZDWMKLPQ-UHFFFAOYSA-N
XLogP1.16
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.16
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-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119799606
(4-amino-3-methylpiperidin-1-yl)-(4-nitrophenyl)methanone;hydrochloride
CID 119592233
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
(3-bromopyrrolidin-1-yl)-(4-nitrophenyl)methanone
CID 80678087
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-nitrophenyl)methanone
CID 9295736
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
(4-aminopiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119374691
[(3S)-3-methylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 40543994
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 787175
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone;hydrochloride
CID 119538348

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone (CID 25219406) is (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone is NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone?
The InChIKey is HTIFOGZDWMKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-10-5-7-14(8-6-10)12(16)9-1-3-11(4-2-9)15(17)18/h1-4,10H,5-8,13H2.
What are the key properties of (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone?
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone has a molecular weight of 249.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 25219406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).