(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide

C21H26FN3O3 — CID 7317240

IUPAC(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide
SMILESC[C@H](CC(=O)NCc1ccco1)CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O3/c1-16(13-20(26)23-15-17-5-4-12-28-17)14-21(27)25-10-8-24(9-11-25)19-7-3-2-6-18(19)22/h2-7,12,16H,8-11,13-15H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyXFCWWAZLEIMTCX-MRXNPFEDSA-N
MW387.46 g/mol
LogP2.80
Rot. Bonds7

About (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide

(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide (PubChem CID 7317240) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide
PubChem CID7317240
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide
SMILESC[C@H](CC(=O)NCc1ccco1)CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O3/c1-16(13-20(26)23-15-17-5-4-12-28-17)14-21(27)25-10-8-24(9-11-25)19-7-3-2-6-18(19)22/h2-7,12,16H,8-11,13-15H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyXFCWWAZLEIMTCX-MRXNPFEDSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
CID 3646176
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2697596
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 16809923
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113150299
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279509
5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide
CID 4637829
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 70330321
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide?
The IUPAC name of (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide (CID 7317240) is (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide.
What is the SMILES notation for (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide?
The canonical SMILES for (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide is C[C@H](CC(=O)NCc1ccco1)CC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide?
The InChIKey is XFCWWAZLEIMTCX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-16(13-20(26)23-15-17-5-4-12-28-17)14-21(27)25-10-8-24(9-11-25)19-7-3-2-6-18(19)22/h2-7,12,16H,8-11,13-15H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide?
(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide has a molecular weight of 387.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide is sourced from PubChem (CID 7317240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).