N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H23N3O — CID 43600247

IUPACN-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CC2C=CC1C2
InChIInChI=1S/C14H23N3O/c18-14(13-10-11-1-2-12(13)9-11)16-5-8-17-6-3-15-4-7-17/h1-2,11-13,15H,3-10H2,(H,16,18)
InChIKeyJTCNKLYWMSSAQY-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.22
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 43600247) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID43600247
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CC2C=CC1C2
InChIInChI=1S/C14H23N3O/c18-14(13-10-11-1-2-12(13)9-11)16-5-8-17-6-3-15-4-7-17/h1-2,11-13,15H,3-10H2,(H,16,18)
InChIKeyJTCNKLYWMSSAQY-UHFFFAOYSA-N
XLogP0.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 22322270
(1R,2S,4S)-N-[3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124855758
(1R,2S,4S)-N-[3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124855759
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N-hex-5-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103758684
2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
CID 175824171
CID 175824171
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
N-(2-hydroxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 65110649
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448722
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119448721
1,1-dioxo-N-(2-piperazin-1-ylethyl)thiane-2-carboxamide
CID 104517894

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 43600247) is N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(NCCN1CCNCC1)C1CC2C=CC1C2.
What is the InChIKey of N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is JTCNKLYWMSSAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c18-14(13-10-11-1-2-12(13)9-11)16-5-8-17-6-3-15-4-7-17/h1-2,11-13,15H,3-10H2,(H,16,18).
What are the key properties of N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 43600247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).