2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide

C11H23N5O2 — CID 43252755

IUPAC2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
SMILESNCCCCN1CCN(CC(=O)NC(N)=O)CC1
InChIInChI=1S/C11H23N5O2/c12-3-1-2-4-15-5-7-16(8-6-15)9-10(17)14-11(13)18/h1-9,12H2,(H3,13,14,17,18)
InChIKeySYKIXMZFLVHWPT-UHFFFAOYSA-N
MW257.34 g/mol
LogP-1.46
Rot. Bonds6

About 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide

2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide (PubChem CID 43252755) has the molecular formula C11H23N5O2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
PubChem CID43252755
Molecular FormulaC11H23N5O2
Molecular Weight257.34 g/mol
Exact Mass257.19
IUPAC Name2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
SMILESNCCCCN1CCN(CC(=O)NC(N)=O)CC1
InChIInChI=1S/C11H23N5O2/c12-3-1-2-4-15-5-7-16(8-6-15)9-10(17)14-11(13)18/h1-9,12H2,(H3,13,14,17,18)
InChIKeySYKIXMZFLVHWPT-UHFFFAOYSA-N
XLogP-1.46
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide 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-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide
CID 43253136
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
CID 63653557
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
N-carbamoyl-2-(4-cyanopiperidin-1-yl)acetamide
CID 48940889
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
CID 43522354
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide (CID 43252755) is 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide is NCCCCN1CCN(CC(=O)NC(N)=O)CC1.
What is the InChIKey of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide?
The InChIKey is SYKIXMZFLVHWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2/c12-3-1-2-4-15-5-7-16(8-6-15)9-10(17)14-11(13)18/h1-9,12H2,(H3,13,14,17,18).
What are the key properties of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide?
2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide has a molecular weight of 257.34 g/mol, XLogP of -1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide is sourced from PubChem (CID 43252755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).