(2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride

C22H24ClFN4O2 — CID 119313752

IUPAC(2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C22H23FN4O2.ClH/c23-18-10-8-16(9-11-18)20-25-21(29-26-20)17-7-4-12-27(14-17)22(28)19(24)13-15-5-2-1-3-6-15;/h1-3,5-6,8-11,17,19H,4,7,12-14,24H2;1H/t17?,19-;/m0./s1
InChIKeyNWMKNNFTWNLYBL-YHBSKVLESA-N
MW430.91 g/mol
LogP3.57
Rot. Bonds5

About (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride

(2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 119313752) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID119313752
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC Name(2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C22H23FN4O2.ClH/c23-18-10-8-16(9-11-18)20-25-21(29-26-20)17-7-4-12-27(14-17)22(28)19(24)13-15-5-2-1-3-6-15;/h1-3,5-6,8-11,17,19H,4,7,12-14,24H2;1H/t17?,19-;/m0./s1
InChIKeyNWMKNNFTWNLYBL-YHBSKVLESA-N
XLogP3.57
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride 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

2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 119313764
2-ethyl-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 1453889
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
[4-(aminomethyl)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 119313758
2-(2-fluorophenyl)-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95148946
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
[2-(benzylamino)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 68924464
(3R)-3-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95596844
5-[(3R)-1-benzylsulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453786
5-[(3S)-1-benzylsulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453789
4-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 119313771
(2S)-2-amino-3-(4-bromophenyl)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 117073497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 119313752) is (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is NWMKNNFTWNLYBL-YHBSKVLESA-N. The full InChI is InChI=1S/C22H23FN4O2.ClH/c23-18-10-8-16(9-11-18)20-25-21(29-26-20)17-7-4-12-27(14-17)22(28)19(24)13-15-5-2-1-3-6-15;/h1-3,5-6,8-11,17,19H,4,7,12-14,24H2;1H/t17?,19-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
(2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 430.91 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119313752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).