N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide

C23H27FN2O3 — CID 39511425

IUPACN-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O3/c1-16-6-4-5-7-20(16)21(27)25-18-12-14-26(15-13-18)22(28)23(2,3)29-19-10-8-17(24)9-11-19/h4-11,18H,12-15H2,1-3H3,(H,25,27)
InChIKeyLFIBOZQCQNMJLG-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.71
Rot. Bonds5

About N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 39511425) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID39511425
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC NameN-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O3/c1-16-6-4-5-7-20(16)21(27)25-18-12-14-26(15-13-18)22(28)23(2,3)29-19-10-8-17(24)9-11-19/h4-11,18H,12-15H2,1-3H3,(H,25,27)
InChIKeyLFIBOZQCQNMJLG-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721489
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
CID 134099091
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide (CID 39511425) is N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is LFIBOZQCQNMJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16-6-4-5-7-20(16)21(27)25-18-12-14-26(15-13-18)22(28)23(2,3)29-19-10-8-17(24)9-11-19/h4-11,18H,12-15H2,1-3H3,(H,25,27).
What are the key properties of N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 398.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 39511425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).