(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone

C20H20FN5O2 — CID 11589020

IUPAC(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnn([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1
InChIInChI=1S/C20H20FN5O2/c1-28-18-10-6-14(7-11-18)19-22-24-26(23-19)17-3-2-12-25(13-17)20(27)15-4-8-16(21)9-5-15/h4-11,17H,2-3,12-13H2,1H3/t17-/m0/s1
InChIKeyBGZITSBRFOHDFX-KRWDZBQOSA-N
MW381.41 g/mol
LogP2.97
Rot. Bonds4

About (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone (PubChem CID 11589020) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone
PubChem CID11589020
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnn([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1
InChIInChI=1S/C20H20FN5O2/c1-28-18-10-6-14(7-11-18)19-22-24-26(23-19)17-3-2-12-25(13-17)20(27)15-4-8-16(21)9-5-15/h4-11,17H,2-3,12-13H2,1H3/t17-/m0/s1
InChIKeyBGZITSBRFOHDFX-KRWDZBQOSA-N
XLogP2.97
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
(4-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908548
[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3226114
[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51696605
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-fluorophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4258624
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
1,3-benzodioxol-5-yl-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]methanone
CID 16668514
[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3975771

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone (CID 11589020) is (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone is COc1ccc(-c2nnn([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is BGZITSBRFOHDFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-28-18-10-6-14(7-11-18)19-22-24-26(23-19)17-3-2-12-25(13-17)20(27)15-4-8-16(21)9-5-15/h4-11,17H,2-3,12-13H2,1H3/t17-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 11589020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).