(4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

C23H24FN7O2 — CID 30857950

IUPAC(4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FN7O2/c24-18-6-8-20(9-7-18)31-21(25-26-27-31)16-28-10-12-29(13-11-28)23(33)17-14-22(32)30(15-17)19-4-2-1-3-5-19/h1-9,17H,10-16H2/t17-/m0/s1
InChIKeyVKJSPEHANIWBFX-KRWDZBQOSA-N
MW449.49 g/mol
LogP1.50
Rot. Bonds5

About (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

(4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 30857950) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID30857950
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name(4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FN7O2/c24-18-6-8-20(9-7-18)31-21(25-26-27-31)16-28-10-12-29(13-11-28)23(33)17-14-22(32)30(15-17)19-4-2-1-3-5-19/h1-9,17H,10-16H2/t17-/m0/s1
InChIKeyVKJSPEHANIWBFX-KRWDZBQOSA-N
XLogP1.50
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30857695
(4S)-1-phenyl-4-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51938437
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
(2-bromophenyl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937102
cyclopropyl-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55856055
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361
(2-chloro-6-fluorophenyl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937119
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
CID 30936500

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 30857950) is (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is VKJSPEHANIWBFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24FN7O2/c24-18-6-8-20(9-7-18)31-21(25-26-27-31)16-28-10-12-29(13-11-28)23(33)17-14-22(32)30(15-17)19-4-2-1-3-5-19/h1-9,17H,10-16H2/t17-/m0/s1.
What are the key properties of (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 449.49 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 30857950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).