methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

About methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071037) has the molecular formula C23H40N4O4 and a molecular weight of 436.60 g/mol. Its IUPAC name is methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Name	methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
PubChem CID	19071037
Molecular Formula	C23H40N4O4
Molecular Weight	436.60 g/mol
Exact Mass	436.30
IUPAC Name	methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILES	COC(=O)CN1CCN(CC2CN(CCCCC3CCN(C4CC4)CC3)C(=O)O2)CC1
InChI	InChI=1S/C23H40N4O4/c1-30-22(28)18-25-14-12-24(13-15-25)16-21-17-27(23(29)31-21)9-3-2-4-19-7-10-26(11-8-19)20-5-6-20/h19-21H,2-18H2,1H3
InChIKey	SYJGOXATFXEVHF-UHFFFAOYSA-N
XLogP	1.64
TPSA	65.56 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?

The IUPAC name of methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071037) is methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

What is the SMILES notation for methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?

The canonical SMILES for methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(CCCCC3CCN(C4CC4)CC3)C(=O)O2)CC1.

What is the InChIKey of methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?

The InChIKey is SYJGOXATFXEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O4/c1-30-22(28)18-25-14-12-24(13-15-25)16-21-17-27(23(29)31-21)9-3-2-4-19-7-10-26(11-8-19)20-5-6-20/h19-21H,2-18H2,1H3.

What are the key properties of methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?

methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 436.60 g/mol, XLogP of 1.64, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).