[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H24N4O3 — CID 109133323

IUPAC[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1C(=O)N1CCN(c2ccccn2)CC1)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c23-17(14-13-15(14)18(24)22-9-11-25-12-10-22)21-7-5-20(6-8-21)16-3-1-2-4-19-16/h1-4,14-15H,5-13H2
InChIKeyXJWCYSDUTSWJIT-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.23
Rot. Bonds3

About [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109133323) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109133323
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1C(=O)N1CCN(c2ccccn2)CC1)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c23-17(14-13-15(14)18(24)22-9-11-25-12-10-22)21-7-5-20(6-8-21)16-3-1-2-4-19-16/h1-4,14-15H,5-13H2
InChIKeyXJWCYSDUTSWJIT-UHFFFAOYSA-N
XLogP0.23
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95588003
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440
[4-(methylamino)oxolan-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 66267143
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139223
morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 15992231
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135176
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506

Frequently Asked Questions

What is the IUPAC name of [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109133323) is [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(C1CC1C(=O)N1CCN(c2ccccn2)CC1)N1CCOCC1.
What is the InChIKey of [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XJWCYSDUTSWJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-17(14-13-15(14)18(24)22-9-11-25-12-10-22)21-7-5-20(6-8-21)16-3-1-2-4-19-16/h1-4,14-15H,5-13H2.
What are the key properties of [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109133323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).