[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone

C13H14ClN5O — CID 71791488

IUPAC[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nnn(-c2ccc(Cl)cc2)n1)N1CCCCC1
InChIInChI=1S/C13H14ClN5O/c14-10-4-6-11(7-5-10)19-16-12(15-17-19)13(20)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2
InChIKeyGYFVEPOXRQGLSF-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.94
Rot. Bonds2

About [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone

[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 71791488) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone
PubChem CID71791488
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nnn(-c2ccc(Cl)cc2)n1)N1CCCCC1
InChIInChI=1S/C13H14ClN5O/c14-10-4-6-11(7-5-10)19-16-12(15-17-19)13(20)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2
InChIKeyGYFVEPOXRQGLSF-UHFFFAOYSA-N
XLogP1.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791619
[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 6498260
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide
CID 71792316
2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole
CID 56924902
ethyl 1-[2-[4-(trifluoromethyl)phenyl]tetrazole-5-carbonyl]piperidine-3-carboxylate
CID 71791537
[2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95985448
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791623
1-[4-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 78827255
[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 168865679
1-[4-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 87030566
[4-amino-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42585324

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone (CID 71791488) is [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone is O=C(c1nnn(-c2ccc(Cl)cc2)n1)N1CCCCC1.
What is the InChIKey of [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is GYFVEPOXRQGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-10-4-6-11(7-5-10)19-16-12(15-17-19)13(20)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2.
What are the key properties of [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone?
[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 291.74 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71791488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).