N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide

C21H23FN2O — CID 57204224

IUPACN-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(c1ccccc1F)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C21H23FN2O/c22-18-8-4-5-9-19(18)24(20(25)16-10-11-16)21(12-14-23-15-13-21)17-6-2-1-3-7-17/h1-9,16,23H,10-15H2
InChIKeyGPJWANMRKYDPRQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.85
Rot. Bonds4

About N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide

N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide (PubChem CID 57204224) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide
PubChem CID57204224
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(c1ccccc1F)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C21H23FN2O/c22-18-8-4-5-9-19(18)24(20(25)16-10-11-16)21(12-14-23-15-13-21)17-6-2-1-3-7-17/h1-9,16,23H,10-15H2
InChIKeyGPJWANMRKYDPRQ-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 170342174
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
N-ethyl-N-(2-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106739902
N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide
CID 10756566
(Z)-2-amino-3-(N-amino-2-fluoroanilino)-3-cyclopropylprop-2-enoic acid
CID 135245878
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-(2-fluorophenyl)-N-[2-(2-phenylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
CID 23057366
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388805

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide (CID 57204224) is N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide is O=C(C1CC1)N(c1ccccc1F)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide?
The InChIKey is GPJWANMRKYDPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-18-8-4-5-9-19(18)24(20(25)16-10-11-16)21(12-14-23-15-13-21)17-6-2-1-3-7-17/h1-9,16,23H,10-15H2.
What are the key properties of N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide?
N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 57204224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).