2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

C15H27N3O3 — CID 119700521

IUPAC2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H27N3O3/c1-12(10-16-2)14(19)18-5-3-4-13(11-18)15(20)17-6-8-21-9-7-17/h12-13,16H,3-11H2,1-2H3
InChIKeyUAHKRNCXVLXQAH-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.06
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 119700521) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID119700521
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H27N3O3/c1-12(10-16-2)14(19)18-5-3-4-13(11-18)15(20)17-6-8-21-9-7-17/h12-13,16H,3-11H2,1-2H3
InChIKeyUAHKRNCXVLXQAH-UHFFFAOYSA-N
XLogP-0.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
CID 31006518
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
2-methyl-3-(methylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119858297
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 103810683
2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 119700516
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
2-methyl-3-(methylamino)-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 119894722
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 79195456

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (CID 119700521) is 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is CNCC(C)C(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is UAHKRNCXVLXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(10-16-2)14(19)18-5-3-4-13(11-18)15(20)17-6-8-21-9-7-17/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 297.40 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119700521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).