1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide

C27H35FN2O2 — CID 100663159

IUPAC1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
SMILESCC1CCN(CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1
InChIInChI=1S/C27H35FN2O2/c1-21-13-18-30(19-14-21)17-6-20-32-23-11-9-22(10-12-23)29-26(31)27(15-4-5-16-27)24-7-2-3-8-25(24)28/h2-3,7-12,21H,4-6,13-20H2,1H3,(H,29,31)
InChIKeyLRAHBFKHZGRDBQ-UHFFFAOYSA-N
MW438.59 g/mol
LogP5.78
Rot. Bonds8

About 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide

1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 100663159) has the molecular formula C27H35FN2O2 and a molecular weight of 438.59 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID100663159
Molecular FormulaC27H35FN2O2
Molecular Weight438.59 g/mol
Exact Mass438.27
IUPAC Name1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
SMILESCC1CCN(CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1
InChIInChI=1S/C27H35FN2O2/c1-21-13-18-30(19-14-21)17-6-20-32-23-11-9-22(10-12-23)29-26(31)27(15-4-5-16-27)24-7-2-3-8-25(24)28/h2-3,7-12,21H,4-6,13-20H2,1H3,(H,29,31)
InChIKeyLRAHBFKHZGRDBQ-UHFFFAOYSA-N
XLogP5.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673262
1-(4-chlorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100665731
N-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673240
1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100667622
1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100665537
1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100691827
4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide
CID 100682604
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
1-(2-chlorophenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133188318
1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100666816
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide (CID 100663159) is 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide is CC1CCN(CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is LRAHBFKHZGRDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2O2/c1-21-13-18-30(19-14-21)17-6-20-32-23-11-9-22(10-12-23)29-26(31)27(15-4-5-16-27)24-7-2-3-8-25(24)28/h2-3,7-12,21H,4-6,13-20H2,1H3,(H,29,31).
What are the key properties of 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide?
1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 438.59 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100663159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).