1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide

C25H31FN2O3 — CID 100664752

IUPAC1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C25H31FN2O3/c26-21-6-4-20(5-7-21)25(12-1-2-13-25)24(29)27-22-8-10-23(11-9-22)31-17-3-14-28-15-18-30-19-16-28/h4-11H,1-3,12-19H2,(H,27,29)
InChIKeyQUXYXPSLAMSIBK-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.38
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide

1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 100664752) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID100664752
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C25H31FN2O3/c26-21-6-4-20(5-7-21)25(12-1-2-13-25)24(29)27-22-8-10-23(11-9-22)31-17-3-14-28-15-18-30-19-16-28/h4-11H,1-3,12-19H2,(H,27,29)
InChIKeyQUXYXPSLAMSIBK-UHFFFAOYSA-N
XLogP4.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683600
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
1-(4-fluorophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 100674043
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100679278
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
4-(4-fluorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100683737
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
1-(4-chlorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100665731
4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100683391
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669515
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
CID 68577604

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide (CID 100664752) is 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide is O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is QUXYXPSLAMSIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c26-21-6-4-20(5-7-21)25(12-1-2-13-25)24(29)27-22-8-10-23(11-9-22)31-17-3-14-28-15-18-30-19-16-28/h4-11H,1-3,12-19H2,(H,27,29).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide?
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100664752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).