1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone

C17H23N3O3 — CID 110102575

IUPAC1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCOC(c3ccncc3)C2)CC1
InChIInChI=1S/C17H23N3O3/c1-13(21)19-8-4-15(5-9-19)17(22)20-10-11-23-16(12-20)14-2-6-18-7-3-14/h2-3,6-7,15-16H,4-5,8-12H2,1H3
InChIKeySLXGQCHDVWREBG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.24
Rot. Bonds2

About 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone

1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110102575) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID110102575
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCOC(c3ccncc3)C2)CC1
InChIInChI=1S/C17H23N3O3/c1-13(21)19-8-4-15(5-9-19)17(22)20-10-11-23-16(12-20)14-2-6-18-7-3-14/h2-3,6-7,15-16H,4-5,8-12H2,1H3
InChIKeySLXGQCHDVWREBG-UHFFFAOYSA-N
XLogP1.24
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
4-[(2S)-4-acetylmorpholin-2-yl]benzoic acid
CID 167741837
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 95211388
(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone
CID 155983403
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124987082
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 110102575) is 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCOC(c3ccncc3)C2)CC1.
What is the InChIKey of 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is SLXGQCHDVWREBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)19-8-4-15(5-9-19)17(22)20-10-11-23-16(12-20)14-2-6-18-7-3-14/h2-3,6-7,15-16H,4-5,8-12H2,1H3.
What are the key properties of 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone?
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110102575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).