N-(1-piperazin-1-ylethyl)formamide

C7H15N3O — CID 87225423

IUPACN-(1-piperazin-1-ylethyl)formamide
SMILESCC(NC=O)N1CCNCC1
InChIInChI=1S/C7H15N3O/c1-7(9-6-11)10-4-2-8-3-5-10/h6-8H,2-5H2,1H3,(H,9,11)
InChIKeyQBAISCKCWWYRJR-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.02
Rot. Bonds3

About N-(1-piperazin-1-ylethyl)formamide

N-(1-piperazin-1-ylethyl)formamide (PubChem CID 87225423) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-(1-piperazin-1-ylethyl)formamide.

Molecular Properties

Compound NameN-(1-piperazin-1-ylethyl)formamide
PubChem CID87225423
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-(1-piperazin-1-ylethyl)formamide
SMILESCC(NC=O)N1CCNCC1
InChIInChI=1S/C7H15N3O/c1-7(9-6-11)10-4-2-8-3-5-10/h6-8H,2-5H2,1H3,(H,9,11)
InChIKeyQBAISCKCWWYRJR-UHFFFAOYSA-N
XLogP-1.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-piperazin-1-ylethyl)formamide 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

4-(1-piperazin-1-ylethyl)benzaldehyde
CID 105473045
2,2-di(piperazin-1-yl)acetaldehyde
CID 87096321
2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide
CID 66782605
1-propan-2-ylpiperazine;vanadium
CID 162375922
N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 174938739
(E)-but-2-enedioic acid;1-propan-2-ylpiperazine
CID 70108433
1-[(Z)-pent-3-en-2-yl]piperazine
CID 70169405
1-(1-methylsulfonylethyl)piperazine
CID 117037867
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
CID 57071289
N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide
CID 115407717

Frequently Asked Questions

What is the IUPAC name of N-(1-piperazin-1-ylethyl)formamide?
The IUPAC name of N-(1-piperazin-1-ylethyl)formamide (CID 87225423) is N-(1-piperazin-1-ylethyl)formamide.
What is the SMILES notation for N-(1-piperazin-1-ylethyl)formamide?
The canonical SMILES for N-(1-piperazin-1-ylethyl)formamide is CC(NC=O)N1CCNCC1.
What is the InChIKey of N-(1-piperazin-1-ylethyl)formamide?
The InChIKey is QBAISCKCWWYRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-7(9-6-11)10-4-2-8-3-5-10/h6-8H,2-5H2,1H3,(H,9,11).
What are the key properties of N-(1-piperazin-1-ylethyl)formamide?
N-(1-piperazin-1-ylethyl)formamide has a molecular weight of 157.22 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperazin-1-ylethyl)formamide is sourced from PubChem (CID 87225423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).