N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide

C17H29N3O4 — CID 31006518

IUPACN-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C(C)C
InChIInChI=1S/C17H29N3O4/c1-12(2)15(18-13(3)21)17(23)20-6-4-5-14(11-20)16(22)19-7-9-24-10-8-19/h12,14-15H,4-11H2,1-3H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyZJOBZNLYBDOESE-GJZGRUSLSA-N
MW339.44 g/mol
LogP0.24
Rot. Bonds4

About N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide

N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide (PubChem CID 31006518) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
PubChem CID31006518
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC NameN-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C(C)C
InChIInChI=1S/C17H29N3O4/c1-12(2)15(18-13(3)21)17(23)20-6-4-5-14(11-20)16(22)19-7-9-24-10-8-19/h12,14-15H,4-11H2,1-3H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyZJOBZNLYBDOESE-GJZGRUSLSA-N
XLogP0.24
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide with MolForge

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Related Compounds

(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 119700521
(3R)-1-[(3S)-1-[(2S)-2-acetamido-3-methylbutanoyl]piperidine-3-carbonyl]-N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]piperidine-3-carboxamide
CID 101072849
2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000136
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 59011431
1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 43355771
(3S)-1-[3-methyl-2-(3-methylbutanoylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174275
2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 119700516
ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119277072

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide (CID 31006518) is N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide is CC(=O)N[C@H](C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide?
The InChIKey is ZJOBZNLYBDOESE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12(2)15(18-13(3)21)17(23)20-6-4-5-14(11-20)16(22)19-7-9-24-10-8-19/h12,14-15H,4-11H2,1-3H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide?
N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 31006518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).