[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone

C22H26N2O3 — CID 177024710

IUPAC[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Oc2ccc(NC3CCCC3)cc2)c1)N1CCOCC1
InChIInChI=1S/C22H26N2O3/c25-22(24-12-14-26-15-13-24)17-4-3-7-21(16-17)27-20-10-8-19(9-11-20)23-18-5-1-2-6-18/h3-4,7-11,16,18,23H,1-2,5-6,12-15H2
InChIKeyBXNSOHXSZIDGSC-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.31
Rot. Bonds5

About [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone

[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 177024710) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID177024710
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Oc2ccc(NC3CCCC3)cc2)c1)N1CCOCC1
InChIInChI=1S/C22H26N2O3/c25-22(24-12-14-26-15-13-24)17-4-3-7-21(16-17)27-20-10-8-19(9-11-20)23-18-5-1-2-6-18/h3-4,7-11,16,18,23H,1-2,5-6,12-15H2
InChIKeyBXNSOHXSZIDGSC-UHFFFAOYSA-N
XLogP4.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
CID 38491442
4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
CID 122033820
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
CID 56921253
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 124574705
(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
CID 94653417
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
morpholin-4-yl-[3-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42466032

Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone (CID 177024710) is [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(Oc2ccc(NC3CCCC3)cc2)c1)N1CCOCC1.
What is the InChIKey of [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is BXNSOHXSZIDGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(24-12-14-26-15-13-24)17-4-3-7-21(16-17)27-20-10-8-19(9-11-20)23-18-5-1-2-6-18/h3-4,7-11,16,18,23H,1-2,5-6,12-15H2.
What are the key properties of [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone?
[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 366.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177024710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).