2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide

C18H31N3O4 — CID 55537782

IUPAC2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H31N3O4/c1-18(2,3)17(24)19-7-6-15(22)21-8-4-5-14(13-21)16(23)20-9-11-25-12-10-20/h14H,4-13H2,1-3H3,(H,19,24)
InChIKeyMNLLSSDDAWMURW-UHFFFAOYSA-N
MW353.46 g/mol
LogP0.64
Rot. Bonds4

About 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide

2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide (PubChem CID 55537782) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide
PubChem CID55537782
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H31N3O4/c1-18(2,3)17(24)19-7-6-15(22)21-8-4-5-14(13-21)16(23)20-9-11-25-12-10-20/h14H,4-13H2,1-3H3,(H,19,24)
InChIKeyMNLLSSDDAWMURW-UHFFFAOYSA-N
XLogP0.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-morpholin-4-ylpropyl)-1-(piperidin-1-ylsulfonyl)piperidine-3-carboxamide
CID 22552977
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 24790674
4-(Piperidine-3-carbonyl)morpholine hydrochloride
CID 17552706
1-(methylsulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 3238772
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 4061658
3-N,3-N-diethyl-1-N-(2-morpholin-4-ylethyl)piperidine-1,3-dicarboxamide
CID 172437921
4-(Piperidin-3-ylcarbonyl)morpholine
CID 16227662
[1,4-Bipiperidin]-3-yl(morpholino)methanone
CID 22263098
4-[(3R)-piperidine-3-carbonyl]morpholine hydrochloride
CID 165995243
1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 4097871
2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 11911991
N-(3-morpholin-4-ylpropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 16000382

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide (CID 55537782) is 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide is CC(C)(C)C(=O)NCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide?
The InChIKey is MNLLSSDDAWMURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-18(2,3)17(24)19-7-6-15(22)21-8-4-5-14(13-21)16(23)20-9-11-25-12-10-20/h14H,4-13H2,1-3H3,(H,19,24).
What are the key properties of 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide?
2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide has a molecular weight of 353.46 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 55537782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).