N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide

C16H26N4O4 — CID 95150690

IUPACN-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1C[C@H]1[N+](=O)[O-]
InChIInChI=1S/C16H26N4O4/c21-15(13-10-14(13)20(23)24)17-12-6-8-19(9-7-12)16(22)18-11-4-2-1-3-5-11/h11-14H,1-10H2,(H,17,21)(H,18,22)/t13-,14+/m0/s1
InChIKeyPJIFWEBDNBSELU-UONOGXRCSA-N
MW338.41 g/mol
LogP1.27
Rot. Bonds4

About N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide

N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide (PubChem CID 95150690) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide
PubChem CID95150690
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1C[C@H]1[N+](=O)[O-]
InChIInChI=1S/C16H26N4O4/c21-15(13-10-14(13)20(23)24)17-12-6-8-19(9-7-12)16(22)18-11-4-2-1-3-5-11/h11-14H,1-10H2,(H,17,21)(H,18,22)/t13-,14+/m0/s1
InChIKeyPJIFWEBDNBSELU-UONOGXRCSA-N
XLogP1.27
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
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-[1-[(1R,2S)-2-nitrocyclopropanecarbonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 99803575
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
4-(cyclohexanecarbonylamino)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 86862881
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide (CID 95150690) is N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide is O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1C[C@H]1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide?
The InChIKey is PJIFWEBDNBSELU-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N4O4/c21-15(13-10-14(13)20(23)24)17-12-6-8-19(9-7-12)16(22)18-11-4-2-1-3-5-11/h11-14H,1-10H2,(H,17,21)(H,18,22)/t13-,14+/m0/s1.
What are the key properties of N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide?
N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 95150690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).