N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide

C19H25N3O4 — CID 2817993

IUPACN-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1
InChIInChI=1S/C19H25N3O4/c23-18(14-4-2-1-3-5-14)20-16-10-12-21(13-11-16)19(24)15-6-8-17(9-7-15)22(25)26/h6-9,14,16H,1-5,10-13H2,(H,20,23)
InChIKeyZAHDDDBHKVUPJK-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.90
Rot. Bonds4

About N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 2817993) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID2817993
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1
InChIInChI=1S/C19H25N3O4/c23-18(14-4-2-1-3-5-14)20-16-10-12-21(13-11-16)19(24)15-6-8-17(9-7-15)22(25)26/h6-9,14,16H,1-5,10-13H2,(H,20,23)
InChIKeyZAHDDDBHKVUPJK-UHFFFAOYSA-N
XLogP2.90
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.90
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-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549958
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-nitrophenyl)methanone
CID 9295736
N-cyclododecyl-4-nitrobenzamide
CID 19168070
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide (CID 2817993) is N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is ZAHDDDBHKVUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-18(14-4-2-1-3-5-14)20-16-10-12-21(13-11-16)19(24)15-6-8-17(9-7-15)22(25)26/h6-9,14,16H,1-5,10-13H2,(H,20,23).
What are the key properties of N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2817993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).