1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C23H24F2N2O2 — CID 87020609

IUPAC1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H24F2N2O2/c24-19-5-1-16(2-6-19)15-26-21(28)17-9-13-27(14-10-17)22(29)23(11-12-23)18-3-7-20(25)8-4-18/h1-8,17H,9-15H2,(H,26,28)
InChIKeyHEGVPOKKGGDZFR-UHFFFAOYSA-N
MW398.45 g/mol
LogP3.55
Rot. Bonds5

About 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 87020609) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID87020609
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC Name1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H24F2N2O2/c24-19-5-1-16(2-6-19)15-26-21(28)17-9-13-27(14-10-17)22(29)23(11-12-23)18-3-7-20(25)8-4-18/h1-8,17H,9-15H2,(H,26,28)
InChIKeyHEGVPOKKGGDZFR-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)oxane-4-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120924366
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 134062059
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 30806810
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759271
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 98786326
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 87020609) is 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HEGVPOKKGGDZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c24-19-5-1-16(2-6-19)15-26-21(28)17-9-13-27(14-10-17)22(29)23(11-12-23)18-3-7-20(25)8-4-18/h1-8,17H,9-15H2,(H,26,28).
What are the key properties of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 87020609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).