3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide

C15H21N3O3 — CID 63130968

IUPAC3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCNC1
InChIInChI=1S/C15H21N3O3/c1-3-15(7-4-8-16-10-15)14(19)17-13-9-12(18(20)21)6-5-11(13)2/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyIFWRLDRRZZZCGM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.62
Rot. Bonds4

About 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide

3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide (PubChem CID 63130968) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
PubChem CID63130968
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCNC1
InChIInChI=1S/C15H21N3O3/c1-3-15(7-4-8-16-10-15)14(19)17-13-9-12(18(20)21)6-5-11(13)2/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyIFWRLDRRZZZCGM-UHFFFAOYSA-N
XLogP2.62
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.62
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

3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63132622
3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107
3-ethyl-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 63130701
3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 63139414
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
3-ethyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132332
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
3-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-3-carboxamide
CID 63130989
3-ethyl-N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63140077
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
N-(2-bromo-4-nitrophenyl)-3-methylpiperidine-3-carboxamide
CID 63130791

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide (CID 63130968) is 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide is CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCNC1.
What is the InChIKey of 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is IFWRLDRRZZZCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(7-4-8-16-10-15)14(19)17-13-9-12(18(20)21)6-5-11(13)2/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide?
3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 63130968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).