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

C17H23N3O4 — CID 110878633

IUPAC(3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC(O)C1
InChIInChI=1S/C17H23N3O4/c21-14-4-3-9-19(12-14)17(22)13-7-10-18(11-8-13)15-5-1-2-6-16(15)20(23)24/h1-2,5-6,13-14,21H,3-4,7-12H2
InChIKeyYBZUUPOCIJKVHQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.79
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone

(3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone (PubChem CID 110878633) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone
PubChem CID110878633
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC(O)C1
InChIInChI=1S/C17H23N3O4/c21-14-4-3-9-19(12-14)17(22)13-7-10-18(11-8-13)15-5-1-2-6-16(15)20(23)24/h1-2,5-6,13-14,21H,3-4,7-12H2
InChIKeyYBZUUPOCIJKVHQ-UHFFFAOYSA-N
XLogP1.79
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
[(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
(4-benzyl-1,4-diazepan-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 16613193
[(1S)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 99785185
[2-(azepan-1-yl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46794254
2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
(2-chloro-6-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 63659661
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-nitrobenzonitrile
CID 133478535
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
1-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-nitrophenyl]ethanone
CID 26437045

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone (CID 110878633) is (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone?
The InChIKey is YBZUUPOCIJKVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-14-4-3-9-19(12-14)17(22)13-7-10-18(11-8-13)15-5-1-2-6-16(15)20(23)24/h1-2,5-6,13-14,21H,3-4,7-12H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone?
(3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone is sourced from PubChem (CID 110878633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).