1-[4-(dimethylamino)butyl]piperazin-2-one

C10H21N3O — CID 64565809

IUPAC1-[4-(dimethylamino)butyl]piperazin-2-one
SMILESCN(C)CCCCN1CCNCC1=O
InChIInChI=1S/C10H21N3O/c1-12(2)6-3-4-7-13-8-5-11-9-10(13)14/h11H,3-9H2,1-2H3
InChIKeyNHNVDSZQRLOGBM-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds5

About 1-[4-(dimethylamino)butyl]piperazin-2-one

1-[4-(dimethylamino)butyl]piperazin-2-one (PubChem CID 64565809) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]piperazin-2-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]piperazin-2-one
PubChem CID64565809
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[4-(dimethylamino)butyl]piperazin-2-one
SMILESCN(C)CCCCN1CCNCC1=O
InChIInChI=1S/C10H21N3O/c1-12(2)6-3-4-7-13-8-5-11-9-10(13)14/h11H,3-9H2,1-2H3
InChIKeyNHNVDSZQRLOGBM-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]piperazin-2-one?
The IUPAC name of 1-[4-(dimethylamino)butyl]piperazin-2-one (CID 64565809) is 1-[4-(dimethylamino)butyl]piperazin-2-one.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]piperazin-2-one?
The canonical SMILES for 1-[4-(dimethylamino)butyl]piperazin-2-one is CN(C)CCCCN1CCNCC1=O.
What is the InChIKey of 1-[4-(dimethylamino)butyl]piperazin-2-one?
The InChIKey is NHNVDSZQRLOGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12(2)6-3-4-7-13-8-5-11-9-10(13)14/h11H,3-9H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)butyl]piperazin-2-one?
1-[4-(dimethylamino)butyl]piperazin-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]piperazin-2-one is sourced from PubChem (CID 64565809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).