2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C13H25N3O2 — CID 3229452

IUPAC2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N1CCN(C)CC1
InChIInChI=1S/C13H25N3O2/c1-11(16-7-5-15(2)6-8-16)13(17)14-10-12-4-3-9-18-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyMRYMRZSRVFFEIX-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide

2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 3229452) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID3229452
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)N1CCN(C)CC1
InChIInChI=1S/C13H25N3O2/c1-11(16-7-5-15(2)6-8-16)13(17)14-10-12-4-3-9-18-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyMRYMRZSRVFFEIX-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 3229452) is 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MRYMRZSRVFFEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(16-7-5-15(2)6-8-16)13(17)14-10-12-4-3-9-18-12/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 255.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 3229452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).