1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C18H26N4O3 — CID 138998600

IUPAC1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCCc1ccnc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C18H26N4O3/c1-2-15-3-4-19-16(13-15)18(24)22-7-5-21(6-8-22)17(23)14-20-9-11-25-12-10-20/h3-4,13H,2,5-12,14H2,1H3
InChIKeyUXYLOEMGTLEJHB-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.26
Rot. Bonds4

About 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 138998600) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID138998600
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCCc1ccnc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C18H26N4O3/c1-2-15-3-4-19-16(13-15)18(24)22-7-5-21(6-8-22)17(23)14-20-9-11-25-12-10-20/h3-4,13H,2,5-12,14H2,1H3
InChIKeyUXYLOEMGTLEJHB-UHFFFAOYSA-N
XLogP0.26
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 138998600) is 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is CCc1ccnc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1.
What is the InChIKey of 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is UXYLOEMGTLEJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-15-3-4-19-16(13-15)18(24)22-7-5-21(6-8-22)17(23)14-20-9-11-25-12-10-20/h3-4,13H,2,5-12,14H2,1H3.
What are the key properties of 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 346.43 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 138998600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).