1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone

C18H34N2O2 — CID 135214073

IUPAC1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)C)CC1C1COCC(C(C)C)N1C
InChIInChI=1S/C18H34N2O2/c1-12(2)15-7-8-20(14(5)21)16(9-15)18-11-22-10-17(13(3)4)19(18)6/h12-13,15-18H,7-11H2,1-6H3
InChIKeyPSTLEXOAWZQELN-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.62
Rot. Bonds3

About 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone

1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone (PubChem CID 135214073) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone
PubChem CID135214073
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)C)CC1C1COCC(C(C)C)N1C
InChIInChI=1S/C18H34N2O2/c1-12(2)15-7-8-20(14(5)21)16(9-15)18-11-22-10-17(13(3)4)19(18)6/h12-13,15-18H,7-11H2,1-6H3
InChIKeyPSTLEXOAWZQELN-UHFFFAOYSA-N
XLogP2.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
1-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridin-2-yl)ethanone
CID 58849926
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275
5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 123136118
2-methyl-1-(3-propan-2-ylmorpholin-4-yl)propan-1-one
CID 139553994
1-(3-iodomorpholin-4-yl)ethanone
CID 140998826
2-methyl-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 91076591
3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 169182669
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
cyclopropyl-(7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
CID 171574735

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone (CID 135214073) is 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone is CC(=O)N1CCC(C(C)C)CC1C1COCC(C(C)C)N1C.
What is the InChIKey of 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone?
The InChIKey is PSTLEXOAWZQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12(2)15-7-8-20(14(5)21)16(9-15)18-11-22-10-17(13(3)4)19(18)6/h12-13,15-18H,7-11H2,1-6H3.
What are the key properties of 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone?
1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone has a molecular weight of 310.48 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-5-propan-2-ylmorpholin-3-yl)-4-propan-2-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 135214073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).