N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide

C12H16FN3O2 — CID 142176857

IUPACN-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESO=CN1CCC(F)(CNC(=O)c2cc[nH]c2)CC1
InChIInChI=1S/C12H16FN3O2/c13-12(2-5-16(9-17)6-3-12)8-15-11(18)10-1-4-14-7-10/h1,4,7,9,14H,2-3,5-6,8H2,(H,15,18)
InChIKeyFPHZNABEOORTMV-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.70
Rot. Bonds4

About N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide

N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142176857) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID142176857
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESO=CN1CCC(F)(CNC(=O)c2cc[nH]c2)CC1
InChIInChI=1S/C12H16FN3O2/c13-12(2-5-16(9-17)6-3-12)8-15-11(18)10-1-4-14-7-10/h1,4,7,9,14H,2-3,5-6,8H2,(H,15,18)
InChIKeyFPHZNABEOORTMV-UHFFFAOYSA-N
XLogP0.70
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide 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-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide (CID 142176857) is N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide is O=CN1CCC(F)(CNC(=O)c2cc[nH]c2)CC1.
What is the InChIKey of N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FPHZNABEOORTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-12(2-5-16(9-17)6-3-12)8-15-11(18)10-1-4-14-7-10/h1,4,7,9,14H,2-3,5-6,8H2,(H,15,18).
What are the key properties of N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide?
N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-formylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142176857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).