N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C19H26N4O2 — CID 2867802

IUPACN-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCN1CCC(NC2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C19H26N4O2/c1-2-22-10-8-13(9-11-22)20-18-5-3-4-15-16-12-14(23(24)25)6-7-17(16)21-19(15)18/h6-7,12-13,18,20-21H,2-5,8-11H2,1H3
InChIKeyPWBFNNRPJWBPEF-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.53
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 2867802) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID2867802
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCN1CCC(NC2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C19H26N4O2/c1-2-22-10-8-13(9-11-22)20-18-5-3-4-15-16-12-14(23(24)25)6-7-17(16)21-19(15)18/h6-7,12-13,18,20-21H,2-5,8-11H2,1H3
InChIKeyPWBFNNRPJWBPEF-UHFFFAOYSA-N
XLogP3.53
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 2867802) is N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCN1CCC(NC2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is PWBFNNRPJWBPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-22-10-8-13(9-11-22)20-18-5-3-4-15-16-12-14(23(24)25)6-7-17(16)21-19(15)18/h6-7,12-13,18,20-21H,2-5,8-11H2,1H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 342.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 2867802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).