N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

C21H26FN3O3 — CID 95708333

IUPACN-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccc(F)cc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C21H26FN3O3/c1-15(2)25(13-16-3-5-18(22)6-4-16)20(26)11-19-21(27)23-8-9-24(19)12-17-7-10-28-14-17/h3-7,10,14-15,19H,8-9,11-13H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyBSYFXBUCVVIAPD-LJQANCHMSA-N
MW387.46 g/mol
LogP2.55
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 95708333) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
PubChem CID95708333
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccc(F)cc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C21H26FN3O3/c1-15(2)25(13-16-3-5-18(22)6-4-16)20(26)11-19-21(27)23-8-9-24(19)12-17-7-10-28-14-17/h3-7,10,14-15,19H,8-9,11-13H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyBSYFXBUCVVIAPD-LJQANCHMSA-N
XLogP2.55
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide
CID 56887957
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propyl-N-(pyridin-4-ylmethyl)acetamide
CID 56912099
2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 95715172
N-butyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95722246
N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 45180905
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 56897419
4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 45238416
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
CID 42195762
N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 95723989
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 25452555

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (CID 95708333) is N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is CC(C)N(Cc1ccc(F)cc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is BSYFXBUCVVIAPD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15(2)25(13-16-3-5-18(22)6-4-16)20(26)11-19-21(27)23-8-9-24(19)12-17-7-10-28-14-17/h3-7,10,14-15,19H,8-9,11-13H2,1-2H3,(H,23,27)/t19-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 387.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95708333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).