(2-aminopiperazin-1-yl)-cyclopropylmethanone

C8H15N3O — CID 141435578

IUPAC(2-aminopiperazin-1-yl)-cyclopropylmethanone
SMILESNC1CNCCN1C(=O)C1CC1
InChIInChI=1S/C8H15N3O/c9-7-5-10-3-4-11(7)8(12)6-1-2-6/h6-7,10H,1-5,9H2
InChIKeyPBUBJXTZZYBVKH-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.89
Rot. Bonds1

About (2-aminopiperazin-1-yl)-cyclopropylmethanone

(2-aminopiperazin-1-yl)-cyclopropylmethanone (PubChem CID 141435578) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (2-aminopiperazin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-aminopiperazin-1-yl)-cyclopropylmethanone
PubChem CID141435578
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(2-aminopiperazin-1-yl)-cyclopropylmethanone
SMILESNC1CNCCN1C(=O)C1CC1
InChIInChI=1S/C8H15N3O/c9-7-5-10-3-4-11(7)8(12)6-1-2-6/h6-7,10H,1-5,9H2
InChIKeyPBUBJXTZZYBVKH-UHFFFAOYSA-N
XLogP-0.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-aminopiperazin-1-yl)-cyclopropylmethanone?
The IUPAC name of (2-aminopiperazin-1-yl)-cyclopropylmethanone (CID 141435578) is (2-aminopiperazin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (2-aminopiperazin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (2-aminopiperazin-1-yl)-cyclopropylmethanone is NC1CNCCN1C(=O)C1CC1.
What is the InChIKey of (2-aminopiperazin-1-yl)-cyclopropylmethanone?
The InChIKey is PBUBJXTZZYBVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-7-5-10-3-4-11(7)8(12)6-1-2-6/h6-7,10H,1-5,9H2.
What are the key properties of (2-aminopiperazin-1-yl)-cyclopropylmethanone?
(2-aminopiperazin-1-yl)-cyclopropylmethanone has a molecular weight of 169.23 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopiperazin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 141435578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).