N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide

C13H17N3O3 — CID 47131082

IUPACN-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C13H17N3O3/c1-14-13(17)10-6-8-15(9-7-10)11-2-4-12(5-3-11)16(18)19/h2-5,10H,6-9H2,1H3,(H,14,17)
InChIKeyIWVZIBVGUCMMEI-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.56
Rot. Bonds3

About N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide

N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide (PubChem CID 47131082) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
PubChem CID47131082
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C13H17N3O3/c1-14-13(17)10-6-8-15(9-7-10)11-2-4-12(5-3-11)16(18)19/h2-5,10H,6-9H2,1H3,(H,14,17)
InChIKeyIWVZIBVGUCMMEI-UHFFFAOYSA-N
XLogP1.56
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 24567424
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721
N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 17026707
ethane;2-[1-(4-nitrophenyl)piperidin-4-yl]propan-2-ol
CID 145201437
1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
CID 172592234
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
CID 47054291
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide (CID 47131082) is N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is IWVZIBVGUCMMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-14-13(17)10-6-8-15(9-7-10)11-2-4-12(5-3-11)16(18)19/h2-5,10H,6-9H2,1H3,(H,14,17).
What are the key properties of N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide?
N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 47131082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).