N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide

C14H21N3O4 — CID 99803575

IUPACN-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1)C1CCC1
InChIInChI=1S/C14H21N3O4/c18-13(9-2-1-3-9)15-10-4-6-16(7-5-10)14(19)11-8-12(11)17(20)21/h9-12H,1-8H2,(H,15,18)/t11-,12+/m1/s1
InChIKeyIJLZOFRDOISHIP-NEPJUHHUSA-N
MW295.34 g/mol
LogP0.56
Rot. Bonds4

About N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide

N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 99803575) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID99803575
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1)C1CCC1
InChIInChI=1S/C14H21N3O4/c18-13(9-2-1-3-9)15-10-4-6-16(7-5-10)14(19)11-8-12(11)17(20)21/h9-12H,1-8H2,(H,15,18)/t11-,12+/m1/s1
InChIKeyIJLZOFRDOISHIP-NEPJUHHUSA-N
XLogP0.56
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.56
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

N-[1-[(1S,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 99803576
N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide
CID 95150690
(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone
CID 99789161
(4-cyclohexyloxypiperidin-1-yl)-[(1R,2S)-2-nitrocyclopropyl]methanone
CID 99789158
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 81129562
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817993

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide (CID 99803575) is N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide is O=C(NC1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1)C1CCC1.
What is the InChIKey of N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is IJLZOFRDOISHIP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-13(9-2-1-3-9)15-10-4-6-16(7-5-10)14(19)11-8-12(11)17(20)21/h9-12H,1-8H2,(H,15,18)/t11-,12+/m1/s1.
What are the key properties of N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 99803575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).