N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide

C12H25N3O — CID 110441162

IUPACN-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
SMILESCCN1CCN(CCCCNC(C)=O)CC1
InChIInChI=1S/C12H25N3O/c1-3-14-8-10-15(11-9-14)7-5-4-6-13-12(2)16/h3-11H2,1-2H3,(H,13,16)
InChIKeyYXUGKRWRLFNSKS-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide

N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide (PubChem CID 110441162) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
PubChem CID110441162
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
SMILESCCN1CCN(CCCCNC(C)=O)CC1
InChIInChI=1S/C12H25N3O/c1-3-14-8-10-15(11-9-14)7-5-4-6-13-12(2)16/h3-11H2,1-2H3,(H,13,16)
InChIKeyYXUGKRWRLFNSKS-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
CID 110441795
N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682
ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide
CID 176554301
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-hexyl-2-methylguanidine
CID 111160677
3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
CID 110442446
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide (CID 110441162) is N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide is CCN1CCN(CCCCNC(C)=O)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide?
The InChIKey is YXUGKRWRLFNSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-14-8-10-15(11-9-14)7-5-4-6-13-12(2)16/h3-11H2,1-2H3,(H,13,16).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide?
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 110441162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).