2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C19H24N6O — CID 55636310

IUPAC2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC2CCC1C2)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H24N6O/c26-18(17-13-14-6-7-15(17)12-14)23-8-10-24(11-9-23)19-20-21-22-25(19)16-4-2-1-3-5-16/h1-5,14-15,17H,6-13H2
InChIKeyASAXLMBSSBORQF-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.75
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 55636310) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID55636310
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC2CCC1C2)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H24N6O/c26-18(17-13-14-6-7-15(17)12-14)23-8-10-24(11-9-23)19-20-21-22-25(19)16-4-2-1-3-5-16/h1-5,14-15,17H,6-13H2
InChIKeyASAXLMBSSBORQF-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636451
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600592
[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 46600637
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide
CID 98762392
3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55636487
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 6981925
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 55636310) is 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is O=C(C1CC2CCC1C2)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is ASAXLMBSSBORQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-18(17-13-14-6-7-15(17)12-14)23-8-10-24(11-9-23)19-20-21-22-25(19)16-4-2-1-3-5-16/h1-5,14-15,17H,6-13H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55636310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).