1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one

C17H21N5O2 — CID 95802681

IUPAC1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one
SMILESO=C(C1CCC1)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1
InChIInChI=1S/C17H21N5O2/c23-16(13-6-4-7-13)20-11-5-10-15(12-20)22-17(24)21(18-19-22)14-8-2-1-3-9-14/h1-3,8-9,13,15H,4-7,10-12H2/t15-/m1/s1
InChIKeyZRAZGALMKUOHRN-OAHLLOKOSA-N
MW327.39 g/mol
LogP1.39
Rot. Bonds3

About 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one

1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one (PubChem CID 95802681) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one
PubChem CID95802681
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one
SMILESO=C(C1CCC1)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1
InChIInChI=1S/C17H21N5O2/c23-16(13-6-4-7-13)20-11-5-10-15(12-20)22-17(24)21(18-19-22)14-8-2-1-3-9-14/h1-3,8-9,13,15H,4-7,10-12H2/t15-/m1/s1
InChIKeyZRAZGALMKUOHRN-OAHLLOKOSA-N
XLogP1.39
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one
CID 9379927
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
cyclopentyl-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757164
cyclohexyl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91892076
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
5-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803369
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141982
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
CID 110661911
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one?
The IUPAC name of 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one (CID 95802681) is 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one?
The canonical SMILES for 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one is O=C(C1CCC1)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1.
What is the InChIKey of 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one?
The InChIKey is ZRAZGALMKUOHRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(13-6-4-7-13)20-11-5-10-15(12-20)22-17(24)21(18-19-22)14-8-2-1-3-9-14/h1-3,8-9,13,15H,4-7,10-12H2/t15-/m1/s1.
What are the key properties of 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one?
1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one has a molecular weight of 327.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4-phenyltetrazol-5-one is sourced from PubChem (CID 95802681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).