2-[(3R)-3-methylpiperazin-1-yl]butanamide

C9H19N3O — CID 104975725

IUPAC2-[(3R)-3-methylpiperazin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN[C@H](C)C1
InChIInChI=1S/C9H19N3O/c1-3-8(9(10)13)12-5-4-11-7(2)6-12/h7-8,11H,3-6H2,1-2H3,(H2,10,13)/t7-,8?/m1/s1
InChIKeyWKZXLGXTGSEWBB-GVHYBUMESA-N
MW185.27 g/mol
LogP-0.46
Rot. Bonds3

About 2-[(3R)-3-methylpiperazin-1-yl]butanamide

2-[(3R)-3-methylpiperazin-1-yl]butanamide (PubChem CID 104975725) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperazin-1-yl]butanamide.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperazin-1-yl]butanamide
PubChem CID104975725
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(3R)-3-methylpiperazin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN[C@H](C)C1
InChIInChI=1S/C9H19N3O/c1-3-8(9(10)13)12-5-4-11-7(2)6-12/h7-8,11H,3-6H2,1-2H3,(H2,10,13)/t7-,8?/m1/s1
InChIKeyWKZXLGXTGSEWBB-GVHYBUMESA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
CID 114499454
1-(1-cyclopropylpropyl)-3-methylpiperazine
CID 65417230
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
CID 78945283
2-[3-(methylaminomethyl)pyrrolidin-1-yl]butanamide
CID 63267432
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
2-[3-(methylaminomethyl)piperidin-1-yl]butanamide
CID 62899302
methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
CID 104975207

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpiperazin-1-yl]butanamide?
The IUPAC name of 2-[(3R)-3-methylpiperazin-1-yl]butanamide (CID 104975725) is 2-[(3R)-3-methylpiperazin-1-yl]butanamide.
What is the SMILES notation for 2-[(3R)-3-methylpiperazin-1-yl]butanamide?
The canonical SMILES for 2-[(3R)-3-methylpiperazin-1-yl]butanamide is CCC(C(N)=O)N1CCN[C@H](C)C1.
What is the InChIKey of 2-[(3R)-3-methylpiperazin-1-yl]butanamide?
The InChIKey is WKZXLGXTGSEWBB-GVHYBUMESA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-8(9(10)13)12-5-4-11-7(2)6-12/h7-8,11H,3-6H2,1-2H3,(H2,10,13)/t7-,8?/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperazin-1-yl]butanamide?
2-[(3R)-3-methylpiperazin-1-yl]butanamide has a molecular weight of 185.27 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperazin-1-yl]butanamide is sourced from PubChem (CID 104975725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).