N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen

C8H19N3O — CID 177158616

IUPACN-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen
SMILESCCC(=O)NN1CCN(C)CC1.[H][H]
InChIInChI=1S/C8H17N3O.H2/c1-3-8(12)9-11-6-4-10(2)5-7-11;/h3-7H2,1-2H3,(H,9,12);1H
InChIKeySHMKGHZDJXEQGM-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.08
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen

N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen (PubChem CID 177158616) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen
PubChem CID177158616
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen
SMILESCCC(=O)NN1CCN(C)CC1.[H][H]
InChIInChI=1S/C8H17N3O.H2/c1-3-8(12)9-11-6-4-10(2)5-7-11;/h3-7H2,1-2H3,(H,9,12);1H
InChIKeySHMKGHZDJXEQGM-UHFFFAOYSA-N
XLogP-0.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.08
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;molecular hydrogen?
The IUPAC name of N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen (CID 177158616) is N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen?
The canonical SMILES for N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen is CCC(=O)NN1CCN(C)CC1.[H][H].
What is the InChIKey of N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen?
The InChIKey is SHMKGHZDJXEQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.H2/c1-3-8(12)9-11-6-4-10(2)5-7-11;/h3-7H2,1-2H3,(H,9,12);1H.
What are the key properties of N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen?
N-(4-methylpiperazin-1-yl)propanamide;molecular hydrogen has a molecular weight of 173.26 g/mol, XLogP of -0.08, 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;molecular hydrogen is sourced from PubChem (CID 177158616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).