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

C20H22FN3O2 — CID 24792391

IUPACN-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O2/c1-14-4-2-3-5-18(14)19(25)22-17-10-12-24(13-11-17)20(26)23-16-8-6-15(21)7-9-16/h2-9,17H,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyOCHDKASAWZVGFU-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.56
Rot. Bonds3

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

N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide (PubChem CID 24792391) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
PubChem CID24792391
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O2/c1-14-4-2-3-5-18(14)19(25)22-17-10-12-24(13-11-17)20(26)23-16-8-6-15(21)7-9-16/h2-9,17H,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyOCHDKASAWZVGFU-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide (CID 24792391) is N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide is Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
The InChIKey is OCHDKASAWZVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-4-2-3-5-18(14)19(25)22-17-10-12-24(13-11-17)20(26)23-16-8-6-15(21)7-9-16/h2-9,17H,10-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 24792391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).