[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C16H24N4O3 — CID 902042

IUPAC[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCN(CCO)CC2)nc1)N1CCOCC1
InChIInChI=1S/C16H24N4O3/c21-10-7-18-3-5-19(6-4-18)15-2-1-14(13-17-15)16(22)20-8-11-23-12-9-20/h1-2,13,21H,3-12H2
InChIKeyMWMUBJRMDLYGPS-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.33
Rot. Bonds4

About [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 902042) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID902042
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCN(CCO)CC2)nc1)N1CCOCC1
InChIInChI=1S/C16H24N4O3/c21-10-7-18-3-5-19(6-4-18)15-2-1-14(13-17-15)16(22)20-8-11-23-12-9-20/h1-2,13,21H,3-12H2
InChIKeyMWMUBJRMDLYGPS-UHFFFAOYSA-N
XLogP-0.33
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 902042) is [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(N2CCN(CCO)CC2)nc1)N1CCOCC1.
What is the InChIKey of [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is MWMUBJRMDLYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-10-7-18-3-5-19(6-4-18)15-2-1-14(13-17-15)16(22)20-8-11-23-12-9-20/h1-2,13,21H,3-12H2.
What are the key properties of [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 320.39 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 902042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).