N-(4-methylpiperazin-1-yl)propanamide

C8H17N3O — CID 5054390

IUPACN-(4-methylpiperazin-1-yl)propanamide
SMILESCCC(=O)NN1CCN(C)CC1
InChIInChI=1S/C8H17N3O/c1-3-8(12)9-11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeySXIBYTSRBYUVFK-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.32
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)propanamide

N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 5054390) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)propanamide
PubChem CID5054390
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-(4-methylpiperazin-1-yl)propanamide
SMILESCCC(=O)NN1CCN(C)CC1
InChIInChI=1S/C8H17N3O/c1-3-8(12)9-11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeySXIBYTSRBYUVFK-UHFFFAOYSA-N
XLogP-0.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)propanamide (CID 5054390) is N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)propanamide is CCC(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is SXIBYTSRBYUVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-8(12)9-11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12).
What are the key properties of N-(4-methylpiperazin-1-yl)propanamide?
N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 171.24 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 5054390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).