1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone

C16H22N4O3 — CID 109206574

IUPAC1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1
InChIInChI=1S/C16H22N4O3/c1-13(21)18-4-6-20(7-5-18)16(22)15-12-14(2-3-17-15)19-8-10-23-11-9-19/h2-3,12H,4-11H2,1H3
InChIKeyFRBVMSBWOZYKFJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.22
Rot. Bonds2

About 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone

1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 109206574) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID109206574
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1
InChIInChI=1S/C16H22N4O3/c1-13(21)18-4-6-20(7-5-18)16(22)15-12-14(2-3-17-15)19-8-10-23-11-9-19/h2-3,12H,4-11H2,1H3
InChIKeyFRBVMSBWOZYKFJ-UHFFFAOYSA-N
XLogP0.22
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 9489775
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 17431619
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
[4-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56898986
(4-morpholin-4-yl-2-pyridinyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 136534504
4-(4-acetylpiperazin-1-yl)pyridine-2-carbothioamide
CID 55154931
[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95724039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone (CID 109206574) is 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1.
What is the InChIKey of 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is FRBVMSBWOZYKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-13(21)18-4-6-20(7-5-18)16(22)15-12-14(2-3-17-15)19-8-10-23-11-9-19/h2-3,12H,4-11H2,1H3.
What are the key properties of 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 318.38 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109206574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).