(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone

C15H24N2O4 — CID 99789161

IUPAC(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C15H24N2O4/c18-15(13-10-14(13)17(19)20)16-8-6-12(7-9-16)21-11-4-2-1-3-5-11/h11-14H,1-10H2/t13-,14-/m1/s1
InChIKeyKVFFXOATKBIEIB-ZIAGYGMSSA-N
MW296.37 g/mol
LogP1.99
Rot. Bonds4

About (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone

(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone (PubChem CID 99789161) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone
PubChem CID99789161
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C15H24N2O4/c18-15(13-10-14(13)17(19)20)16-8-6-12(7-9-16)21-11-4-2-1-3-5-11/h11-14H,1-10H2/t13-,14-/m1/s1
InChIKeyKVFFXOATKBIEIB-ZIAGYGMSSA-N
XLogP1.99
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.99
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

(4-cyclohexyloxypiperidin-1-yl)-[(1R,2S)-2-nitrocyclopropyl]methanone
CID 99789158
cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 129467392
N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 99803575
N-[1-[(1S,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 99803576
[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-(2-nitrocyclopropyl)methanone
CID 71934432
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-nitrocyclopropyl]methanone
CID 100856645
N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide
CID 95150690
(4-cyclopentyloxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 119312944
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119312935
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-nitrocyclopropane-1-carboxylate
CID 55998896
4-cyclopentyloxy-N-methylpiperidine-1-carboxamide
CID 71687221
cis-(1R,2S)-N-cyclooctyl-N-methyl-2-nitrocyclopropane-1-carboxamide
CID 96998079

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone?
The IUPAC name of (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone (CID 99789161) is (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone.
What is the SMILES notation for (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone?
The canonical SMILES for (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone is O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OC2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone?
The InChIKey is KVFFXOATKBIEIB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-15(13-10-14(13)17(19)20)16-8-6-12(7-9-16)21-11-4-2-1-3-5-11/h11-14H,1-10H2/t13-,14-/m1/s1.
What are the key properties of (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone?
(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone has a molecular weight of 296.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone is sourced from PubChem (CID 99789161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).