[6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H28N4O2 — CID 11588013

IUPAC[6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)nc2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(2)21-5-7-22(8-6-21)18(23)16-3-4-17(19-13-16)14-20-9-11-24-12-10-20/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyFXPLHFGBSQNNAN-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.08
Rot. Bonds4

About [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11588013) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11588013
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)nc2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(2)21-5-7-22(8-6-21)18(23)16-3-4-17(19-13-16)14-20-9-11-24-12-10-20/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyFXPLHFGBSQNNAN-UHFFFAOYSA-N
XLogP1.08
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11588013) is [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)nc2)CC1.
What is the InChIKey of [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is FXPLHFGBSQNNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(2)21-5-7-22(8-6-21)18(23)16-3-4-17(19-13-16)14-20-9-11-24-12-10-20/h3-4,13,15H,5-12,14H2,1-2H3.
What are the key properties of [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 332.45 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(morpholin-4-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11588013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).