2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide

C15H18FN7O2 — CID 95715258

IUPAC2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nn[nH]n1
InChIInChI=1S/C15H18FN7O2/c16-11-4-2-1-3-10(11)9-23-6-5-17-15(25)12(23)7-14(24)18-8-13-19-21-22-20-13/h1-4,12H,5-9H2,(H,17,25)(H,18,24)(H,19,20,21,22)/t12-/m1/s1
InChIKeyNVAGJPRAWDPHAC-GFCCVEGCSA-N
MW347.35 g/mol
LogP-0.65
Rot. Bonds6

About 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide

2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 95715258) has the molecular formula C15H18FN7O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID95715258
Molecular FormulaC15H18FN7O2
Molecular Weight347.35 g/mol
Exact Mass347.15
IUPAC Name2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nn[nH]n1
InChIInChI=1S/C15H18FN7O2/c16-11-4-2-1-3-10(11)9-23-6-5-17-15(25)12(23)7-14(24)18-8-13-19-21-22-20-13/h1-4,12H,5-9H2,(H,17,25)(H,18,24)(H,19,20,21,22)/t12-/m1/s1
InChIKeyNVAGJPRAWDPHAC-GFCCVEGCSA-N
XLogP-0.65
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45209913
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45198435
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95714026
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56903638
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]acetamide
CID 42198652
N-(2-amino-2-oxoethyl)-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723179
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 45175666
2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
CID 95729260
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 45187962
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 126444704
2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 42393983

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 95715258) is 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide is O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nn[nH]n1.
What is the InChIKey of 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is NVAGJPRAWDPHAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN7O2/c16-11-4-2-1-3-10(11)9-23-6-5-17-15(25)12(23)7-14(24)18-8-13-19-21-22-20-13/h1-4,12H,5-9H2,(H,17,25)(H,18,24)(H,19,20,21,22)/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 347.35 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 95715258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).