N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide

C19H24FN3O — CID 122569970

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCN(Cc3ccccc3F)C2)ccn1C
InChIInChI=1S/C19H24FN3O/c1-14-17(9-11-22(14)2)19(24)21-16-7-5-10-23(13-16)12-15-6-3-4-8-18(15)20/h3-4,6,8-9,11,16H,5,7,10,12-13H2,1-2H3,(H,21,24)
InChIKeyUILLJPGOZZUFID-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.87
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 122569970) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
PubChem CID122569970
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCN(Cc3ccccc3F)C2)ccn1C
InChIInChI=1S/C19H24FN3O/c1-14-17(9-11-22(14)2)19(24)21-16-7-5-10-23(13-16)12-15-6-3-4-8-18(15)20/h3-4,6,8-9,11,16H,5,7,10,12-13H2,1-2H3,(H,21,24)
InChIKeyUILLJPGOZZUFID-UHFFFAOYSA-N
XLogP2.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-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

Related Compounds

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 95713609
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 131921487
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
CID 42310633
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclopentene-1-carboxamide
CID 45185934
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45219277
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56712984
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42594612
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
CID 56912606
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 42307959
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
CID 95711358
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide (CID 122569970) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide is Cc1c(C(=O)NC2CCCN(Cc3ccccc3F)C2)ccn1C.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide?
The InChIKey is UILLJPGOZZUFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14-17(9-11-22(14)2)19(24)21-16-7-5-10-23(13-16)12-15-6-3-4-8-18(15)20/h3-4,6,8-9,11,16H,5,7,10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 122569970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).