2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide

C19H24FN5O4 — CID 42394031

IUPAC2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nonc2C)c(F)c1
InChIInChI=1S/C19H24FN5O4/c1-12-16(23-29-22-12)11-24(2)18(26)9-17-19(27)21-6-7-25(17)10-13-4-5-14(28-3)8-15(13)20/h4-5,8,17H,6-7,9-11H2,1-3H3,(H,21,27)/t17-/m1/s1
InChIKeyLVLQKSFSUBRBFF-QGZVFWFLSA-N
MW405.43 g/mol
LogP0.87
Rot. Bonds7

About 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide

2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (PubChem CID 42394031) has the molecular formula C19H24FN5O4 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
PubChem CID42394031
Molecular FormulaC19H24FN5O4
Molecular Weight405.43 g/mol
Exact Mass405.18
IUPAC Name2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nonc2C)c(F)c1
InChIInChI=1S/C19H24FN5O4/c1-12-16(23-29-22-12)11-24(2)18(26)9-17-19(27)21-6-7-25(17)10-13-4-5-14(28-3)8-15(13)20/h4-5,8,17H,6-7,9-11H2,1-3H3,(H,21,27)/t17-/m1/s1
InChIKeyLVLQKSFSUBRBFF-QGZVFWFLSA-N
XLogP0.87
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 24791559
2-[1-(4-ethoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24790267
2-[1-(2-ethoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24817632
2-[1-(2-fluoro-4-methoxybenzyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)-N-methylacetamide
CID 24790312
2-[1-(2-fluoro-4-methoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24790606
(3S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
CID 26406829
N-({1-[2-(4-methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 45225136
4-amino-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 24161609
3-(3-fluoro-4-methoxybenzyl)-9-methoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 29087514
2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 42394027
2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 42458029
2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 42458035

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (CID 42394031) is 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nonc2C)c(F)c1.
What is the InChIKey of 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is LVLQKSFSUBRBFF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24FN5O4/c1-12-16(23-29-22-12)11-24(2)18(26)9-17-19(27)21-6-7-25(17)10-13-4-5-14(28-3)8-15(13)20/h4-5,8,17H,6-7,9-11H2,1-3H3,(H,21,27)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 405.43 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 42394031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).