2-(piperazine-1-carbonyl)hexanamide

C11H21N3O2 — CID 154250198

IUPAC2-(piperazine-1-carbonyl)hexanamide
SMILESCCCCC(C(N)=O)C(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c1-2-3-4-9(10(12)15)11(16)14-7-5-13-6-8-14/h9,13H,2-8H2,1H3,(H2,12,15)
InChIKeyYTHZTZJJUDCFFG-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds5

About 2-(piperazine-1-carbonyl)hexanamide

2-(piperazine-1-carbonyl)hexanamide (PubChem CID 154250198) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(piperazine-1-carbonyl)hexanamide.

Molecular Properties

Compound Name2-(piperazine-1-carbonyl)hexanamide
PubChem CID154250198
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(piperazine-1-carbonyl)hexanamide
SMILESCCCCC(C(N)=O)C(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c1-2-3-4-9(10(12)15)11(16)14-7-5-13-6-8-14/h9,13H,2-8H2,1H3,(H2,12,15)
InChIKeyYTHZTZJJUDCFFG-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-butylpropanediamide
CID 2317243
zinc;(2S)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-1-one;hydrate
CID 139261928
2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one
CID 43128277
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
(2R)-2-amino-N-[(2S)-1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-yl]propanamide
CID 139261944
2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid
CID 175272777
1-piperazin-1-ylpentadecan-1-one
CID 126705881
N-octan-4-yl-2-oxo-2-piperazin-1-ylacetamide
CID 106029723
1-piperazin-1-ylpentane-1-sulfonic acid
CID 139490607

Frequently Asked Questions

What is the IUPAC name of 2-(piperazine-1-carbonyl)hexanamide?
The IUPAC name of 2-(piperazine-1-carbonyl)hexanamide (CID 154250198) is 2-(piperazine-1-carbonyl)hexanamide.
What is the SMILES notation for 2-(piperazine-1-carbonyl)hexanamide?
The canonical SMILES for 2-(piperazine-1-carbonyl)hexanamide is CCCCC(C(N)=O)C(=O)N1CCNCC1.
What is the InChIKey of 2-(piperazine-1-carbonyl)hexanamide?
The InChIKey is YTHZTZJJUDCFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-3-4-9(10(12)15)11(16)14-7-5-13-6-8-14/h9,13H,2-8H2,1H3,(H2,12,15).
What are the key properties of 2-(piperazine-1-carbonyl)hexanamide?
2-(piperazine-1-carbonyl)hexanamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazine-1-carbonyl)hexanamide is sourced from PubChem (CID 154250198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).