[1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone

C9H17N3O — CID 90724544

IUPAC[1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone
SMILESCNC1(C(=O)C2CNCCN2)CC1
InChIInChI=1S/C9H17N3O/c1-10-9(2-3-9)8(13)7-6-11-4-5-12-7/h7,10-12H,2-6H2,1H3
InChIKeyIMDQLOLQPJBDRA-UHFFFAOYSA-N
MW183.25 g/mol
LogP-1.13
Rot. Bonds3

About [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone

[1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone (PubChem CID 90724544) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone.

Molecular Properties

Compound Name[1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone
PubChem CID90724544
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name[1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone
SMILESCNC1(C(=O)C2CNCCN2)CC1
InChIInChI=1S/C9H17N3O/c1-10-9(2-3-9)8(13)7-6-11-4-5-12-7/h7,10-12H,2-6H2,1H3
InChIKeyIMDQLOLQPJBDRA-UHFFFAOYSA-N
XLogP-1.13
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone?
The IUPAC name of [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone (CID 90724544) is [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone.
What is the SMILES notation for [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone?
The canonical SMILES for [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone is CNC1(C(=O)C2CNCCN2)CC1.
What is the InChIKey of [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone?
The InChIKey is IMDQLOLQPJBDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-10-9(2-3-9)8(13)7-6-11-4-5-12-7/h7,10-12H,2-6H2,1H3.
What are the key properties of [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone?
[1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone has a molecular weight of 183.25 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)cyclopropyl]-piperazin-2-ylmethanone is sourced from PubChem (CID 90724544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).