N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide

C20H24FN3O4 — CID 51963357

IUPACN-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CC2)cc1F
InChIInChI=1S/C20H24FN3O4/c1-14(22-19(25)16-5-10-28-13-16)20(26)24-8-6-23(7-9-24)12-15-3-4-18(27-2)17(21)11-15/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeySQHHWTAQEDBUMJ-CQSZACIVSA-N
MW389.43 g/mol
LogP1.89
Rot. Bonds6

About N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 51963357) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID51963357
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC NameN-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CC2)cc1F
InChIInChI=1S/C20H24FN3O4/c1-14(22-19(25)16-5-10-28-13-16)20(26)24-8-6-23(7-9-24)12-15-3-4-18(27-2)17(21)11-15/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeySQHHWTAQEDBUMJ-CQSZACIVSA-N
XLogP1.89
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 31329370
1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 46422062
(4-tert-butylphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115931
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 86885851
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 51189808
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 18115984
N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24548040
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 31329729
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 51199757
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46820742

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide (CID 51963357) is N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide is COc1ccc(CN2CCN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CC2)cc1F.
What is the InChIKey of N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is SQHHWTAQEDBUMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-14(22-19(25)16-5-10-28-13-16)20(26)24-8-6-23(7-9-24)12-15-3-4-18(27-2)17(21)11-15/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51963357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).