N-(1-piperazin-1-ylpropan-2-yl)formamide

C8H17N3O — CID 82503267

IUPACN-(1-piperazin-1-ylpropan-2-yl)formamide
SMILESCC(CN1CCNCC1)NC=O
InChIInChI=1S/C8H17N3O/c1-8(10-7-12)6-11-4-2-9-3-5-11/h7-9H,2-6H2,1H3,(H,10,12)
InChIKeyKHARJRDOENSDSY-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.97
Rot. Bonds4

About N-(1-piperazin-1-ylpropan-2-yl)formamide

N-(1-piperazin-1-ylpropan-2-yl)formamide (PubChem CID 82503267) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(1-piperazin-1-ylpropan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-piperazin-1-ylpropan-2-yl)formamide
PubChem CID82503267
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-(1-piperazin-1-ylpropan-2-yl)formamide
SMILESCC(CN1CCNCC1)NC=O
InChIInChI=1S/C8H17N3O/c1-8(10-7-12)6-11-4-2-9-3-5-11/h7-9H,2-6H2,1H3,(H,10,12)
InChIKeyKHARJRDOENSDSY-UHFFFAOYSA-N
XLogP-0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperazin-1-ylpropan-2-yl)formamide?
The IUPAC name of N-(1-piperazin-1-ylpropan-2-yl)formamide (CID 82503267) is N-(1-piperazin-1-ylpropan-2-yl)formamide.
What is the SMILES notation for N-(1-piperazin-1-ylpropan-2-yl)formamide?
The canonical SMILES for N-(1-piperazin-1-ylpropan-2-yl)formamide is CC(CN1CCNCC1)NC=O.
What is the InChIKey of N-(1-piperazin-1-ylpropan-2-yl)formamide?
The InChIKey is KHARJRDOENSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(10-7-12)6-11-4-2-9-3-5-11/h7-9H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(1-piperazin-1-ylpropan-2-yl)formamide?
N-(1-piperazin-1-ylpropan-2-yl)formamide has a molecular weight of 171.24 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperazin-1-ylpropan-2-yl)formamide is sourced from PubChem (CID 82503267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).