N-pentyl-2-piperazin-1-ylbenzamide

C16H25N3O — CID 35752714

IUPACN-pentyl-2-piperazin-1-ylbenzamide
SMILESCCCCCNC(=O)c1ccccc1N1CCNCC1
InChIInChI=1S/C16H25N3O/c1-2-3-6-9-18-16(20)14-7-4-5-8-15(14)19-12-10-17-11-13-19/h4-5,7-8,17H,2-3,6,9-13H2,1H3,(H,18,20)
InChIKeyPTFGOBKLJCTSCF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.02
Rot. Bonds6

About N-pentyl-2-piperazin-1-ylbenzamide

N-pentyl-2-piperazin-1-ylbenzamide (PubChem CID 35752714) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-pentyl-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-pentyl-2-piperazin-1-ylbenzamide
PubChem CID35752714
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-pentyl-2-piperazin-1-ylbenzamide
SMILESCCCCCNC(=O)c1ccccc1N1CCNCC1
InChIInChI=1S/C16H25N3O/c1-2-3-6-9-18-16(20)14-7-4-5-8-15(14)19-12-10-17-11-13-19/h4-5,7-8,17H,2-3,6,9-13H2,1H3,(H,18,20)
InChIKeyPTFGOBKLJCTSCF-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.02
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

N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
2-piperazin-1-yl-N-prop-2-enylbenzamide
CID 35752648
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-hexyl-2-piperidin-4-ylbenzamide
CID 170456896
2-chloro-N-undecylbenzamide
CID 3373978
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
2-(pentylcarbamoyl)benzoate
CID 7429981
N-hexyl-2-methylbenzamide
CID 3017102
2-piperazin-1-ylbenzoyl bromide
CID 141087423

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-piperazin-1-ylbenzamide?
The IUPAC name of N-pentyl-2-piperazin-1-ylbenzamide (CID 35752714) is N-pentyl-2-piperazin-1-ylbenzamide.
What is the SMILES notation for N-pentyl-2-piperazin-1-ylbenzamide?
The canonical SMILES for N-pentyl-2-piperazin-1-ylbenzamide is CCCCCNC(=O)c1ccccc1N1CCNCC1.
What is the InChIKey of N-pentyl-2-piperazin-1-ylbenzamide?
The InChIKey is PTFGOBKLJCTSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-3-6-9-18-16(20)14-7-4-5-8-15(14)19-12-10-17-11-13-19/h4-5,7-8,17H,2-3,6,9-13H2,1H3,(H,18,20).
What are the key properties of N-pentyl-2-piperazin-1-ylbenzamide?
N-pentyl-2-piperazin-1-ylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 35752714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).