N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide

C14H27N3O3 — CID 171807707

IUPACN-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide
SMILESCC(CCO)NC(=O)CCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O3/c1-12(6-11-18)15-13(19)4-3-5-14(20)17-9-7-16(2)8-10-17/h12,18H,3-11H2,1-2H3,(H,15,19)
InChIKeyIGZNXEGLVISZMZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.18
Rot. Bonds7

About N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide

N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide (PubChem CID 171807707) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide
PubChem CID171807707
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide
SMILESCC(CCO)NC(=O)CCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O3/c1-12(6-11-18)15-13(19)4-3-5-14(20)17-9-7-16(2)8-10-17/h12,18H,3-11H2,1-2H3,(H,15,19)
InChIKeyIGZNXEGLVISZMZ-UHFFFAOYSA-N
XLogP-0.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide (CID 171807707) is N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide is CC(CCO)NC(=O)CCCC(=O)N1CCN(C)CC1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide?
The InChIKey is IGZNXEGLVISZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-12(6-11-18)15-13(19)4-3-5-14(20)17-9-7-16(2)8-10-17/h12,18H,3-11H2,1-2H3,(H,15,19).
What are the key properties of N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide?
N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide has a molecular weight of 285.39 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-5-(4-methylpiperazin-1-yl)-5-oxopentanamide is sourced from PubChem (CID 171807707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).