1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone

C17H29N3O3 — CID 110094675

IUPAC1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(C)(C(=O)N2CCC(N3CCCC3)CC2)C1
InChIInChI=1S/C17H29N3O3/c1-14(21)20-11-12-23-17(2,13-20)16(22)19-9-5-15(6-10-19)18-7-3-4-8-18/h15H,3-13H2,1-2H3
InChIKeyKNNWLBVNGQCQNR-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.71
Rot. Bonds2

About 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone

1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone (PubChem CID 110094675) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
PubChem CID110094675
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(C)(C(=O)N2CCC(N3CCCC3)CC2)C1
InChIInChI=1S/C17H29N3O3/c1-14(21)20-11-12-23-17(2,13-20)16(22)19-9-5-15(6-10-19)18-7-3-4-8-18/h15H,3-13H2,1-2H3
InChIKeyKNNWLBVNGQCQNR-UHFFFAOYSA-N
XLogP0.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
CID 110267596
(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
CID 124986827
(2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 95839624
1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124979282
(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 82767947
(1-aminocyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 54916657
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 66248492
1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone
CID 131905563
morpholin-4-yl-[1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 25368630
(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 124968264
[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 124998464
1-[4-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 146290512

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone (CID 110094675) is 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone is CC(=O)N1CCOC(C)(C(=O)N2CCC(N3CCCC3)CC2)C1.
What is the InChIKey of 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone?
The InChIKey is KNNWLBVNGQCQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-14(21)20-11-12-23-17(2,13-20)16(22)19-9-5-15(6-10-19)18-7-3-4-8-18/h15H,3-13H2,1-2H3.
What are the key properties of 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone?
1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110094675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).