1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide

C14H20N4O3 — CID 80729334

IUPAC1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
SMILESCCNc1cc(N2CCC(C(N)=O)CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-2-16-11-7-12(9-13(8-11)18(20)21)17-5-3-10(4-6-17)14(15)19/h7-10,16H,2-6H2,1H3,(H2,15,19)
InChIKeyGNYUSNQOPRRTFI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.73
Rot. Bonds5

About 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide

1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide (PubChem CID 80729334) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
PubChem CID80729334
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
SMILESCCNc1cc(N2CCC(C(N)=O)CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-2-16-11-7-12(9-13(8-11)18(20)21)17-5-3-10(4-6-17)14(15)19/h7-10,16H,2-6H2,1H3,(H2,15,19)
InChIKeyGNYUSNQOPRRTFI-UHFFFAOYSA-N
XLogP1.73
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide
CID 83099245
1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol
CID 103358917
N-ethyl-3-(2-methylpiperidin-1-yl)-5-nitroaniline
CID 80766851
8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80818737
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline
CID 80817019
N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
CID 83045065
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
3-(4,4-dimethylpiperidin-1-yl)-5-nitro-N-propylaniline
CID 80808279
4-[3-(ethylamino)-5-nitrophenyl]-1-methyl-1,4-diazepan-2-one
CID 102887864
3-nitro-N-propyl-5-thiomorpholin-4-ylaniline
CID 80764613
1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
CID 172592234

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide (CID 80729334) is 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide is CCNc1cc(N2CCC(C(N)=O)CC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide?
The InChIKey is GNYUSNQOPRRTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-16-11-7-12(9-13(8-11)18(20)21)17-5-3-10(4-6-17)14(15)19/h7-10,16H,2-6H2,1H3,(H2,15,19).
What are the key properties of 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide?
1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 80729334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).