2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one

C18H25N5O — CID 84598135

IUPAC2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCC(CCCc1ccccc1)C(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C18H25N5O/c1-14(7-5-10-15-8-3-2-4-9-15)18(24)23-12-6-11-16(13-23)17-19-21-22-20-17/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,20,21,22)
InChIKeyCVEQBENTWRGQBT-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.56
Rot. Bonds6

About 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one

2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one (PubChem CID 84598135) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one
PubChem CID84598135
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCC(CCCc1ccccc1)C(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C18H25N5O/c1-14(7-5-10-15-8-3-2-4-9-15)18(24)23-12-6-11-16(13-23)17-19-21-22-20-17/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,20,21,22)
InChIKeyCVEQBENTWRGQBT-UHFFFAOYSA-N
XLogP2.56
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide
CID 164627685
1-[4-phenyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 168274177
3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 50948741
(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 71911473
(2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 110196482
N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide
CID 155530046
N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide
CID 155542431
N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide
CID 164625642
2-(3-fluorophenyl)-N-[(2S)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]acetamide
CID 172439307
N-[(2S)-1-(2H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hexanamide
CID 172452526
2-(3-Methylphenyl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]ethanone
CID 110196494
1-[3-(1-Methyl-1H-1,2,3,4-tetrazol-5-YL)piperidin-1-YL]-4-phenylbutan-1-one
CID 91920185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one (CID 84598135) is 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one is CC(CCCc1ccccc1)C(=O)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is CVEQBENTWRGQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(7-5-10-15-8-3-2-4-9-15)18(24)23-12-6-11-16(13-23)17-19-21-22-20-17/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,20,21,22).
What are the key properties of 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one?
2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 84598135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).