1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C18H33N3O3 — CID 123377706

IUPAC1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCOCC1(CNC2CC2C)CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-15-11-16(15)19-13-18(14-23-2)3-5-21(6-4-18)17(22)12-20-7-9-24-10-8-20/h15-16,19H,3-14H2,1-2H3
InChIKeyZROZHAVEGBGYMK-UHFFFAOYSA-N
MW339.48 g/mol
LogP0.57
Rot. Bonds7

About 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 123377706) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID123377706
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCOCC1(CNC2CC2C)CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-15-11-16(15)19-13-18(14-23-2)3-5-21(6-4-18)17(22)12-20-7-9-24-10-8-20/h15-16,19H,3-14H2,1-2H3
InChIKeyZROZHAVEGBGYMK-UHFFFAOYSA-N
XLogP0.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 123377706) is 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone is COCC1(CNC2CC2C)CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ZROZHAVEGBGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-15-11-16(15)19-13-18(14-23-2)3-5-21(6-4-18)17(22)12-20-7-9-24-10-8-20/h15-16,19H,3-14H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 339.48 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 123377706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).