1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine

C19H25N5O — CID 53300927

IUPAC1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine
SMILESCCCCn1nnnc1C(c1cc2ccccc2o1)N1CCCCC1
InChIInChI=1S/C19H25N5O/c1-2-3-13-24-19(20-21-22-24)18(23-11-7-4-8-12-23)17-14-15-9-5-6-10-16(15)25-17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3
InChIKeyCJTPVDICPXUYHY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds6

About 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine

1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine (PubChem CID 53300927) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine
PubChem CID53300927
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine
SMILESCCCCn1nnnc1C(c1cc2ccccc2o1)N1CCCCC1
InChIInChI=1S/C19H25N5O/c1-2-3-13-24-19(20-21-22-24)18(23-11-7-4-8-12-23)17-14-15-9-5-6-10-16(15)25-17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3
InChIKeyCJTPVDICPXUYHY-UHFFFAOYSA-N
XLogP3.79
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 25063043
1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
CID 71560868
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883
3-[(S)-azepan-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 7272952
4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline
CID 150333573
1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213474
3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 154929711
3-[(R)-(1-benzyltetrazol-5-yl)-piperidin-1-ylmethyl]-6-ethyl-1H-quinolin-2-one
CID 1148307
6-ethyl-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 7272883
3-[azepan-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]benzonitrile chloride
CID 53346857
6-ethoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 7273018
3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 7116827

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine?
The IUPAC name of 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine (CID 53300927) is 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine?
The canonical SMILES for 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine is CCCCn1nnnc1C(c1cc2ccccc2o1)N1CCCCC1.
What is the InChIKey of 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine?
The InChIKey is CJTPVDICPXUYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-3-13-24-19(20-21-22-24)18(23-11-7-4-8-12-23)17-14-15-9-5-6-10-16(15)25-17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3.
What are the key properties of 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine?
1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine has a molecular weight of 339.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 53300927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).