3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one

C16H30N2O3 — CID 71785881

IUPAC3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one
SMILESCN(CCO)CC1COCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C16H30N2O3/c1-17(8-10-19)12-15-13-21-11-9-18(15)16(20)7-6-14-4-2-3-5-14/h14-15,19H,2-13H2,1H3
InChIKeyXIKSCQQOMJRGDM-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.11
Rot. Bonds7

About 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one

3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one (PubChem CID 71785881) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one
PubChem CID71785881
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one
SMILESCN(CCO)CC1COCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C16H30N2O3/c1-17(8-10-19)12-15-13-21-11-9-18(15)16(20)7-6-14-4-2-3-5-14/h14-15,19H,2-13H2,1H3
InChIKeyXIKSCQQOMJRGDM-UHFFFAOYSA-N
XLogP1.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one (CID 71785881) is 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one is CN(CCO)CC1COCCN1C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one?
The InChIKey is XIKSCQQOMJRGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-17(8-10-19)12-15-13-21-11-9-18(15)16(20)7-6-14-4-2-3-5-14/h14-15,19H,2-13H2,1H3.
What are the key properties of 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one?
3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one has a molecular weight of 298.43 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 71785881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).