1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C18H31N3O3 — CID 134051301

IUPAC1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CN2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C18H31N3O3/c1-15-4-7-20(8-5-15)17(22)14-19-6-2-3-16(13-19)18(23)21-9-11-24-12-10-21/h15-16H,2-14H2,1H3
InChIKeyXMGWBDMHBOCDIH-UHFFFAOYSA-N
MW337.46 g/mol
LogP0.82
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 134051301) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID134051301
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CN2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C18H31N3O3/c1-15-4-7-20(8-5-15)17(22)14-19-6-2-3-16(13-19)18(23)21-9-11-24-12-10-21/h15-16H,2-14H2,1H3
InChIKeyXMGWBDMHBOCDIH-UHFFFAOYSA-N
XLogP0.82
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
N-(2-methylcyclohexyl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051309
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797
N-(2-methylbutan-2-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051259
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
CID 112730542
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
N-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]cyclobutanecarboxamide
CID 171334346
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
N-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]acetamide
CID 97312328

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 134051301) is 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is CC1CCN(C(=O)CN2CCCC(C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is XMGWBDMHBOCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-15-4-7-20(8-5-15)17(22)14-19-6-2-3-16(13-19)18(23)21-9-11-24-12-10-21/h15-16H,2-14H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 337.46 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 134051301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).