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

C15H21N3O3 — CID 63131107

IUPAC3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCCNC1
InChIInChI=1S/C15H21N3O3/c1-3-15(8-5-9-16-10-15)14(19)17-12-6-4-7-13(11(12)2)18(20)21/h4,6-7,16H,3,5,8-10H2,1-2H3,(H,17,19)
InChIKeyBUGKEHGNDNYFAD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.62
Rot. Bonds4

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

3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide (PubChem CID 63131107) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
PubChem CID63131107
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCCNC1
InChIInChI=1S/C15H21N3O3/c1-3-15(8-5-9-16-10-15)14(19)17-12-6-4-7-13(11(12)2)18(20)21/h4,6-7,16H,3,5,8-10H2,1-2H3,(H,17,19)
InChIKeyBUGKEHGNDNYFAD-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

N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
CID 63130967
3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 63130968
3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63132622
3-ethyl-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 63130701
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976
3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide
CID 63139072
2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide
CID 43004765
N-(2-ethoxy-3-pyridinyl)-3-ethylpiperidine-3-carboxamide
CID 63130921
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 43025525

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide (CID 63131107) is 3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide is CCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CCCNC1.
What is the InChIKey of 3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is BUGKEHGNDNYFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(8-5-9-16-10-15)14(19)17-12-6-4-7-13(11(12)2)18(20)21/h4,6-7,16H,3,5,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide?
3-ethyl-N-(2-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-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).