3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide

C17H22N2O4 — CID 128987896

IUPAC3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCOCC2C2CCCC2O)c1
InChIInChI=1S/C17H22N2O4/c18-16(21)11-3-1-4-12(9-11)17(22)19-7-8-23-10-14(19)13-5-2-6-15(13)20/h1,3-4,9,13-15,20H,2,5-8,10H2,(H2,18,21)
InChIKeyRTHTYGZEVLOLBG-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.79
Rot. Bonds3

About 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide

3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide (PubChem CID 128987896) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide.

Molecular Properties

Compound Name3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
PubChem CID128987896
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCOCC2C2CCCC2O)c1
InChIInChI=1S/C17H22N2O4/c18-16(21)11-3-1-4-12(9-11)17(22)19-7-8-23-10-14(19)13-5-2-6-15(13)20/h1,3-4,9,13-15,20H,2,5-8,10H2,(H2,18,21)
InChIKeyRTHTYGZEVLOLBG-UHFFFAOYSA-N
XLogP0.79
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129486765
2-[3-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholine-4-carbonyl]phenyl]acetonitrile
CID 129346739
[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
CID 128987935
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
(5-bromofuran-3-yl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987926
(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987900
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129491728
(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486470
(2-fluoro-5-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987910
(2-chloro-4,5-dimethylphenyl)-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486930
(4-chloro-2,5-dimethylphenyl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486915
(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486996

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide?
The IUPAC name of 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide (CID 128987896) is 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide.
What is the SMILES notation for 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide?
The canonical SMILES for 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide is NC(=O)c1cccc(C(=O)N2CCOCC2C2CCCC2O)c1.
What is the InChIKey of 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide?
The InChIKey is RTHTYGZEVLOLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c18-16(21)11-3-1-4-12(9-11)17(22)19-7-8-23-10-14(19)13-5-2-6-15(13)20/h1,3-4,9,13-15,20H,2,5-8,10H2,(H2,18,21).
What are the key properties of 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide?
3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide has a molecular weight of 318.37 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide is sourced from PubChem (CID 128987896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).