(2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid

C20H21FN2O4 — CID 51440397

IUPAC(2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O4/c21-17-8-6-15(7-9-17)12-22-10-11-23(13-18(22)19(24)25)20(26)27-14-16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,24,25)/t18-/m1/s1
InChIKeyYJFFAHBVQYUJFU-GOSISDBHSA-N
MW372.40 g/mol
LogP2.73
Rot. Bonds5

About (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid

(2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid (PubChem CID 51440397) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
PubChem CID51440397
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name(2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O4/c21-17-8-6-15(7-9-17)12-22-10-11-23(13-18(22)19(24)25)20(26)27-14-16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,24,25)/t18-/m1/s1
InChIKeyYJFFAHBVQYUJFU-GOSISDBHSA-N
XLogP2.73
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-benzyl-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 51440417
(2S)-1-[(3,4-dichlorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 51440407
(2S)-1-[(4-nitrophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 51440403
1-(furan-2-ylmethyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid;hydrochloride
CID 76854090
4-benzylpiperazine-1,3-dicarboxylic acid
CID 142773332
benzyl 3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 130472055
benzyl 3-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxylate
CID 171770647
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
dibenzyl 4-[(4-fluorobenzoyl)amino]piperazine-1,3-dicarboxylate
CID 151647759
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (3R)-4-ethyl-3-(fluoromethyl)piperazine-1-carboxylate
CID 176897500
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid (CID 51440397) is (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid?
The InChIKey is YJFFAHBVQYUJFU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN2O4/c21-17-8-6-15(7-9-17)12-22-10-11-23(13-18(22)19(24)25)20(26)27-14-16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid?
(2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 51440397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).