N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

C15H21N3O4 — CID 27659238

IUPACN-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21N3O4/c1-22-11-8-16-15(19)12-6-9-17(10-7-12)13-4-2-3-5-14(13)18(20)21/h2-5,12H,6-11H2,1H3,(H,16,19)
InChIKeyOHIMGWUARIAPAS-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.57
Rot. Bonds6

About N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 27659238) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID27659238
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21N3O4/c1-22-11-8-16-15(19)12-6-9-17(10-7-12)13-4-2-3-5-14(13)18(20)21/h2-5,12H,6-11H2,1H3,(H,16,19)
InChIKeyOHIMGWUARIAPAS-UHFFFAOYSA-N
XLogP1.57
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(4-ethoxyphenoxy)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9022621
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360
1-(2-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 42119835
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26993493
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
1-[(2S)-1-methoxypropan-2-yl]-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiourea
CID 9160710
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25356834
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55797624
1-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55933323
methyl (2S)-3-methyl-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]butanoate
CID 60618921
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 27659238) is N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is OHIMGWUARIAPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-22-11-8-16-15(19)12-6-9-17(10-7-12)13-4-2-3-5-14(13)18(20)21/h2-5,12H,6-11H2,1H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 27659238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).