4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline

C18H23N5O2 — CID 125141397

IUPAC4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline
SMILESNc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1
InChIInChI=1S/C18H23N5O2/c19-14-6-7-16(23(24)25)17(10-14)21-8-3-4-13(12-21)18-20-11-15-5-1-2-9-22(15)18/h6-7,10-11,13H,1-5,8-9,12,19H2/t13-/m1/s1
InChIKeyLQKHNSABECAKJK-CYBMUJFWSA-N
MW341.41 g/mol
LogP3.09
Rot. Bonds3

About 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline

4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline (PubChem CID 125141397) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline
PubChem CID125141397
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline
SMILESNc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1
InChIInChI=1S/C18H23N5O2/c19-14-6-7-16(23(24)25)17(10-14)21-8-3-4-13(12-21)18-20-11-15-5-1-2-9-22(15)18/h6-7,10-11,13H,1-5,8-9,12,19H2/t13-/m1/s1
InChIKeyLQKHNSABECAKJK-CYBMUJFWSA-N
XLogP3.09
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline 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 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline?
The IUPAC name of 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline (CID 125141397) is 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline.
What is the SMILES notation for 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline?
The canonical SMILES for 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline is Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1.
What is the InChIKey of 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline?
The InChIKey is LQKHNSABECAKJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-14-6-7-16(23(24)25)17(10-14)21-8-3-4-13(12-21)18-20-11-15-5-1-2-9-22(15)18/h6-7,10-11,13H,1-5,8-9,12,19H2/t13-/m1/s1.
What are the key properties of 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline?
4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline has a molecular weight of 341.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-[(3R)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]aniline is sourced from PubChem (CID 125141397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).