N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide

C12H24N4O2 — CID 6712724

IUPACN-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide
SMILESO=CNCCCN1CCN(CCCNC=O)CC1
InChIInChI=1S/C12H24N4O2/c17-11-13-3-1-5-15-7-9-16(10-8-15)6-2-4-14-12-18/h11-12H,1-10H2,(H,13,17)(H,14,18)
InChIKeyLUYQTMVYCAKVIH-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.12
Rot. Bonds10

About N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide

N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide (PubChem CID 6712724) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide.

Molecular Properties

Compound NameN-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide
PubChem CID6712724
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide
SMILESO=CNCCCN1CCN(CCCNC=O)CC1
InChIInChI=1S/C12H24N4O2/c17-11-13-3-1-5-15-7-9-16(10-8-15)6-2-4-14-12-18/h11-12H,1-10H2,(H,13,17)(H,14,18)
InChIKeyLUYQTMVYCAKVIH-UHFFFAOYSA-N
XLogP-1.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide?
The IUPAC name of N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide (CID 6712724) is N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide.
What is the SMILES notation for N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide?
The canonical SMILES for N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide is O=CNCCCN1CCN(CCCNC=O)CC1.
What is the InChIKey of N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide?
The InChIKey is LUYQTMVYCAKVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c17-11-13-3-1-5-15-7-9-16(10-8-15)6-2-4-14-12-18/h11-12H,1-10H2,(H,13,17)(H,14,18).
What are the key properties of N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide?
N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide has a molecular weight of 256.35 g/mol, XLogP of -1.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide is sourced from PubChem (CID 6712724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).