2-[(3S)-3-methylpiperazin-1-yl]propanamide

C8H17N3O — CID 104976739

IUPAC2-[(3S)-3-methylpiperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C8H17N3O/c1-6-5-11(4-3-10-6)7(2)8(9)12/h6-7,10H,3-5H2,1-2H3,(H2,9,12)/t6-,7?/m0/s1
InChIKeyQFAXSXSVPXRWGU-PKPIPKONSA-N
MW171.24 g/mol
LogP-0.85
Rot. Bonds2

About 2-[(3S)-3-methylpiperazin-1-yl]propanamide

2-[(3S)-3-methylpiperazin-1-yl]propanamide (PubChem CID 104976739) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperazin-1-yl]propanamide
PubChem CID104976739
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[(3S)-3-methylpiperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C8H17N3O/c1-6-5-11(4-3-10-6)7(2)8(9)12/h6-7,10H,3-5H2,1-2H3,(H2,9,12)/t6-,7?/m0/s1
InChIKeyQFAXSXSVPXRWGU-PKPIPKONSA-N
XLogP-0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-3-methylpiperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725
N-tert-butyl-2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976887
N-cyclopropyl-2-(3-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119924485
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
N-cyclopentyl-2-(3-methylpiperazin-1-yl)propanamide
CID 65447521
2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride
CID 119924545
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735
methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
CID 104975207
1-(1-cyclopropylethyl)-3-methylpiperazine
CID 64926432

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]propanamide?
The IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]propanamide (CID 104976739) is 2-[(3S)-3-methylpiperazin-1-yl]propanamide.
What is the SMILES notation for 2-[(3S)-3-methylpiperazin-1-yl]propanamide?
The canonical SMILES for 2-[(3S)-3-methylpiperazin-1-yl]propanamide is CC(C(N)=O)N1CCN[C@@H](C)C1.
What is the InChIKey of 2-[(3S)-3-methylpiperazin-1-yl]propanamide?
The InChIKey is QFAXSXSVPXRWGU-PKPIPKONSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-5-11(4-3-10-6)7(2)8(9)12/h6-7,10H,3-5H2,1-2H3,(H2,9,12)/t6-,7?/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperazin-1-yl]propanamide?
2-[(3S)-3-methylpiperazin-1-yl]propanamide has a molecular weight of 171.24 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperazin-1-yl]propanamide is sourced from PubChem (CID 104976739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).