N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide

C18H21FN4O2 — CID 51105892

IUPACN-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCn1cccc1C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN4O2/c1-22-10-2-3-16(22)17(24)20-15-8-11-23(12-9-15)18(25)21-14-6-4-13(19)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyVTWUQMKNRFOTER-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.59
Rot. Bonds3

About N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide

N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide (PubChem CID 51105892) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide
PubChem CID51105892
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCn1cccc1C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN4O2/c1-22-10-2-3-16(22)17(24)20-15-8-11-23(12-9-15)18(25)21-14-6-4-13(19)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyVTWUQMKNRFOTER-UHFFFAOYSA-N
XLogP2.59
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide (CID 51105892) is N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide is Cn1cccc1C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide?
The InChIKey is VTWUQMKNRFOTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-22-10-2-3-16(22)17(24)20-15-8-11-23(12-9-15)18(25)21-14-6-4-13(19)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 51105892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).