(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one

C16H20FN5O — CID 97086390

IUPAC(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
SMILESC[C@H](CC(=O)N1CCC[C@@H](c2nn[nH]n2)C1)c1ccccc1F
InChIInChI=1S/C16H20FN5O/c1-11(13-6-2-3-7-14(13)17)9-15(23)22-8-4-5-12(10-22)16-18-20-21-19-16/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,19,20,21)/t11-,12-/m1/s1
InChIKeyLCSUJUCJPCFWMN-VXGBXAGGSA-N
MW317.37 g/mol
LogP2.24
Rot. Bonds4

About (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one

(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one (PubChem CID 97086390) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
PubChem CID97086390
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
SMILESC[C@H](CC(=O)N1CCC[C@@H](c2nn[nH]n2)C1)c1ccccc1F
InChIInChI=1S/C16H20FN5O/c1-11(13-6-2-3-7-14(13)17)9-15(23)22-8-4-5-12(10-22)16-18-20-21-19-16/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,19,20,21)/t11-,12-/m1/s1
InChIKeyLCSUJUCJPCFWMN-VXGBXAGGSA-N
XLogP2.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

(3S)-3-(2-fluorophenyl)-1-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086387
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124694280
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one
CID 124733179
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 120658547
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119520970
1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
CID 138995695
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 154843219

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one (CID 97086390) is (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one is C[C@H](CC(=O)N1CCC[C@@H](c2nn[nH]n2)C1)c1ccccc1F.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one?
The InChIKey is LCSUJUCJPCFWMN-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-11(13-6-2-3-7-14(13)17)9-15(23)22-8-4-5-12(10-22)16-18-20-21-19-16/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,19,20,21)/t11-,12-/m1/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one?
(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one has a molecular weight of 317.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 97086390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).