5-(methylamino)-1-piperazin-1-ylpentan-1-one

C10H21N3O — CID 154943058

IUPAC5-(methylamino)-1-piperazin-1-ylpentan-1-one
SMILESCNCCCCC(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O/c1-11-5-3-2-4-10(14)13-8-6-12-7-9-13/h11-12H,2-9H2,1H3
InChIKeyHYBNYDQWOFCIMF-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.19
Rot. Bonds5

About 5-(methylamino)-1-piperazin-1-ylpentan-1-one

5-(methylamino)-1-piperazin-1-ylpentan-1-one (PubChem CID 154943058) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-(methylamino)-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-(methylamino)-1-piperazin-1-ylpentan-1-one
PubChem CID154943058
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name5-(methylamino)-1-piperazin-1-ylpentan-1-one
SMILESCNCCCCC(=O)N1CCNCC1
InChIInChI=1S/C10H21N3O/c1-11-5-3-2-4-10(14)13-8-6-12-7-9-13/h11-12H,2-9H2,1H3
InChIKeyHYBNYDQWOFCIMF-UHFFFAOYSA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-diazepan-1-yl)-4-(methylamino)butan-1-one
CID 60842229
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
CID 143122837
1-piperazin-1-ylpentadecan-1-one
CID 126705881
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
N-(4-oxo-4-piperazin-1-ylbutyl)propanamide
CID 28709367
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
5-oxo-5-piperazin-1-ylpentanehydrazide
CID 2760267
1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
CID 79199915
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-piperazin-1-ylpentan-1-one?
The IUPAC name of 5-(methylamino)-1-piperazin-1-ylpentan-1-one (CID 154943058) is 5-(methylamino)-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 5-(methylamino)-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for 5-(methylamino)-1-piperazin-1-ylpentan-1-one is CNCCCCC(=O)N1CCNCC1.
What is the InChIKey of 5-(methylamino)-1-piperazin-1-ylpentan-1-one?
The InChIKey is HYBNYDQWOFCIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-11-5-3-2-4-10(14)13-8-6-12-7-9-13/h11-12H,2-9H2,1H3.
What are the key properties of 5-(methylamino)-1-piperazin-1-ylpentan-1-one?
5-(methylamino)-1-piperazin-1-ylpentan-1-one has a molecular weight of 199.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 154943058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).