(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one

C24H30N2O4 — CID 7302330

IUPAC(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
SMILESCC[C@H](Oc1ccccc1)C(=O)N1CCN(C(=O)[C@H](CC)Oc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-3-21(29-19-11-7-5-8-12-19)23(27)25-15-17-26(18-16-25)24(28)22(4-2)30-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22-/m0/s1
InChIKeyGJMLEJZZAOGDTO-VXKWHMMOSA-N
MW410.51 g/mol
LogP3.37
Rot. Bonds8

About (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one

(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one (PubChem CID 7302330) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
PubChem CID7302330
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
SMILESCC[C@H](Oc1ccccc1)C(=O)N1CCN(C(=O)[C@H](CC)Oc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-3-21(29-19-11-7-5-8-12-19)23(27)25-15-17-26(18-16-25)24(28)22(4-2)30-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22-/m0/s1
InChIKeyGJMLEJZZAOGDTO-VXKWHMMOSA-N
XLogP3.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-phenoxybutan-1-one
CID 79410096
1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
CID 2930941
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
2-(4-methylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 44782482
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 6085432
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenoxybutan-1-one
CID 2930993
4-[(2S)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carbaldehyde
CID 99956942
(2R)-2-(4-ethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 99132960
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)butan-1-one
CID 21472286
1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one
CID 132654804
(2S)-1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 99958556

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one (CID 7302330) is (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one is CC[C@H](Oc1ccccc1)C(=O)N1CCN(C(=O)[C@H](CC)Oc2ccccc2)CC1.
What is the InChIKey of (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one?
The InChIKey is GJMLEJZZAOGDTO-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-21(29-19-11-7-5-8-12-19)23(27)25-15-17-26(18-16-25)24(28)22(4-2)30-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one?
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one has a molecular weight of 410.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 7302330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).