3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide

C15H21N3O3 — CID 63132622

IUPAC3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCCNC1
InChIInChI=1S/C15H21N3O3/c1-3-15(7-4-8-16-10-15)14(19)17-12-6-5-11(2)13(9-12)18(20)21/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyFCPMYOUVUDRTEH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.62
Rot. Bonds4

About 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide

3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide (PubChem CID 63132622) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide
PubChem CID63132622
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCCNC1
InChIInChI=1S/C15H21N3O3/c1-3-15(7-4-8-16-10-15)14(19)17-12-6-5-11(2)13(9-12)18(20)21/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyFCPMYOUVUDRTEH-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-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 63130968
1-(aminomethyl)-N-(4-methyl-3-nitrophenyl)cyclobutane-1-carboxamide
CID 115447360
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107
N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
CID 63132083
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
3-ethyl-N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79049943
1-cyano-N-(4-methyl-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584340

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide (CID 63132622) is 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide is CCC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCCNC1.
What is the InChIKey of 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is FCPMYOUVUDRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(7-4-8-16-10-15)14(19)17-12-6-5-11(2)13(9-12)18(20)21/h5-6,9,16H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide?
3-ethyl-N-(4-methyl-3-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-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 63132622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).