2-[(2S)-1-butylpiperazin-2-yl]acetamide

C10H21N3O — CID 139684996

IUPAC2-[(2S)-1-butylpiperazin-2-yl]acetamide
SMILESCCCCN1CCNC[C@@H]1CC(N)=O
InChIInChI=1S/C10H21N3O/c1-2-3-5-13-6-4-12-8-9(13)7-10(11)14/h9,12H,2-8H2,1H3,(H2,11,14)/t9-/m0/s1
InChIKeyXBOKKRZAUVOOIH-VIFPVBQESA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds5

About 2-[(2S)-1-butylpiperazin-2-yl]acetamide

2-[(2S)-1-butylpiperazin-2-yl]acetamide (PubChem CID 139684996) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(2S)-1-butylpiperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-butylpiperazin-2-yl]acetamide
PubChem CID139684996
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(2S)-1-butylpiperazin-2-yl]acetamide
SMILESCCCCN1CCNC[C@@H]1CC(N)=O
InChIInChI=1S/C10H21N3O/c1-2-3-5-13-6-4-12-8-9(13)7-10(11)14/h9,12H,2-8H2,1H3,(H2,11,14)/t9-/m0/s1
InChIKeyXBOKKRZAUVOOIH-VIFPVBQESA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-1-butylpiperazin-2-yl]acetamide 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-(1-butylpiperazin-2-yl)acetaldehyde
CID 54035892
2-(1-heptylpiperazin-2-yl)acetaldehyde
CID 54004114
2-(1-decylpiperazin-2-yl)acetaldehyde
CID 54302249
2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol
CID 22483611
methanol;2-methyl-1-nonylpiperazine
CID 144711987
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
1-butyl-2-cyclopropylpiperazine
CID 64833159
1-(3-methylsulfonylpropyl)-2-propylpiperazine
CID 64832534
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 69347794
1-butyl-2-[[4-(4-chlorophenyl)phenyl]methyl]piperazine
CID 142781333
2-hydroxyethyl 2-[[1-(2-hydroxyethyl)piperazin-2-yl]methyl]prop-2-enoate
CID 91582416
4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 64931512

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-butylpiperazin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-butylpiperazin-2-yl]acetamide (CID 139684996) is 2-[(2S)-1-butylpiperazin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-butylpiperazin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-butylpiperazin-2-yl]acetamide is CCCCN1CCNC[C@@H]1CC(N)=O.
What is the InChIKey of 2-[(2S)-1-butylpiperazin-2-yl]acetamide?
The InChIKey is XBOKKRZAUVOOIH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-3-5-13-6-4-12-8-9(13)7-10(11)14/h9,12H,2-8H2,1H3,(H2,11,14)/t9-/m0/s1.
What are the key properties of 2-[(2S)-1-butylpiperazin-2-yl]acetamide?
2-[(2S)-1-butylpiperazin-2-yl]acetamide has a molecular weight of 199.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-butylpiperazin-2-yl]acetamide is sourced from PubChem (CID 139684996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).