[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone

C19H19N3O4 — CID 42790972

IUPAC[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc2occc2n1Cc1cccc([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C19H19N3O4/c23-19(20-8-2-1-3-9-20)17-12-18-16(7-10-26-18)21(17)13-14-5-4-6-15(11-14)22(24)25/h4-7,10-12H,1-3,8-9,13H2
InChIKeyIOWKXNNZWWUBBQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.82
Rot. Bonds4

About [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone

[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone (PubChem CID 42790972) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
PubChem CID42790972
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc2occc2n1Cc1cccc([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C19H19N3O4/c23-19(20-8-2-1-3-9-20)17-12-18-16(7-10-26-18)21(17)13-14-5-4-6-15(11-14)22(24)25/h4-7,10-12H,1-3,8-9,13H2
InChIKeyIOWKXNNZWWUBBQ-UHFFFAOYSA-N
XLogP3.82
TPSA81.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
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 [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-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-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42790980
[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791146
[2-methyl-4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42666399
cyclopentyl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 23854345
1-[(3-nitrophenyl)methyl]pyrrole-2,5-diol
CID 90709675
1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
CID 92680035
5-fluoro-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid
CID 22310932
1-methyl-4-[4-[(3-nitrophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 48733231
[3,5-bis(trifluoromethyl)phenyl]-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 60590912
1-(azepan-1-yl)-2-[3-[(3-nitrophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 18563618
2-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 63101709
(3-nitrophenyl)methyl pyrrolidine-1-carbodithioate
CID 78765855

Frequently Asked Questions

What is the IUPAC name of [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone (CID 42790972) is [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone is O=C(c1cc2occc2n1Cc1cccc([N+](=O)[O-])c1)N1CCCCC1.
What is the InChIKey of [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is IOWKXNNZWWUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-19(20-8-2-1-3-9-20)17-12-18-16(7-10-26-18)21(17)13-14-5-4-6-15(11-14)22(24)25/h4-7,10-12H,1-3,8-9,13H2.
What are the key properties of [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone?
[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 353.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42790972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).