(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone

C14H15N3O3 — CID 64813461

IUPAC(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone
SMILESO=C(c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCNC1
InChIInChI=1S/C14H15N3O3/c18-14(9-3-2-6-15-7-9)10-8-16-11-4-1-5-12(13(10)11)17(19)20/h1,4-5,8-9,15-16H,2-3,6-7H2
InChIKeyWUKMMUOFXDDQPY-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.26
Rot. Bonds3

About (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone

(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone (PubChem CID 64813461) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone
PubChem CID64813461
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone
SMILESO=C(c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCNC1
InChIInChI=1S/C14H15N3O3/c18-14(9-3-2-6-15-7-9)10-8-16-11-4-1-5-12(13(10)11)17(19)20/h1,4-5,8-9,15-16H,2-3,6-7H2
InChIKeyWUKMMUOFXDDQPY-UHFFFAOYSA-N
XLogP2.26
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.26
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'}

Analyze (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone 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

(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 115351659
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957
piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
CID 84692756
2-cyclopropyl-1-(4-nitro-1H-indol-3-yl)propan-1-one
CID 83155250
piperidin-3-yl(1H-pyrrolo[2,3-c]pyridin-3-yl)methanone
CID 84692750
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
CID 56755375
cyclohexyl-(2-nitrophenyl)methanone
CID 82116139
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
3-chloro-4-nitro-1H-indole
CID 12049863
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995

Frequently Asked Questions

What is the IUPAC name of (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone?
The IUPAC name of (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone (CID 64813461) is (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone is O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCNC1.
What is the InChIKey of (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone?
The InChIKey is WUKMMUOFXDDQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(9-3-2-6-15-7-9)10-8-16-11-4-1-5-12(13(10)11)17(19)20/h1,4-5,8-9,15-16H,2-3,6-7H2.
What are the key properties of (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone?
(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone has a molecular weight of 273.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 64813461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).