(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one

C20H22FN3O3 — CID 126430821

IUPAC(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
SMILESNCCOc1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C20H22FN3O3/c21-16-3-1-2-15(13-16)19-20(26)23-9-10-24(19)18(25)12-14-4-6-17(7-5-14)27-11-8-22/h1-7,13,19H,8-12,22H2,(H,23,26)/t19-/m0/s1
InChIKeyCZNZOUWEZDFPBC-IBGZPJMESA-N
MW371.41 g/mol
LogP1.41
Rot. Bonds6

About (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one

(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one (PubChem CID 126430821) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
PubChem CID126430821
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
SMILESNCCOc1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C20H22FN3O3/c21-16-3-1-2-15(13-16)19-20(26)23-9-10-24(19)18(25)12-14-4-6-17(7-5-14)27-11-8-22/h1-7,13,19H,8-12,22H2,(H,23,26)/t19-/m0/s1
InChIKeyCZNZOUWEZDFPBC-IBGZPJMESA-N
XLogP1.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
CID 125168382
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
(3S)-4-[2-(1H-benzimidazol-2-yl)acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126453334
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 42501099
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one
CID 72862229

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one?
The IUPAC name of (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one (CID 126430821) is (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one?
The canonical SMILES for (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one is NCCOc1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)cc1.
What is the InChIKey of (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one?
The InChIKey is CZNZOUWEZDFPBC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-16-3-1-2-15(13-16)19-20(26)23-9-10-24(19)18(25)12-14-4-6-17(7-5-14)27-11-8-22/h1-7,13,19H,8-12,22H2,(H,23,26)/t19-/m0/s1.
What are the key properties of (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one?
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one has a molecular weight of 371.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 126430821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).