(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one

C27H29N3O2 — CID 129453365

IUPAC(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
SMILESCCN1CCN(C(=O)CCc2cccnc2)[C@H](Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C27H29N3O2/c1-2-29-17-18-30(26(31)15-14-21-9-8-16-28-20-21)25(27(29)32)19-23-12-6-7-13-24(23)22-10-4-3-5-11-22/h3-13,16,20,25H,2,14-15,17-19H2,1H3/t25-/m1/s1
InChIKeyAJVZOPBCVFJTSH-RUZDIDTESA-N
MW427.55 g/mol
LogP3.98
Rot. Bonds7

About (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one

(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one (PubChem CID 129453365) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
PubChem CID129453365
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
SMILESCCN1CCN(C(=O)CCc2cccnc2)[C@H](Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C27H29N3O2/c1-2-29-17-18-30(26(31)15-14-21-9-8-16-28-20-21)25(27(29)32)19-23-12-6-7-13-24(23)22-10-4-3-5-11-22/h3-13,16,20,25H,2,14-15,17-19H2,1H3/t25-/m1/s1
InChIKeyAJVZOPBCVFJTSH-RUZDIDTESA-N
XLogP3.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-(cyclohexanecarbonyl)-1-ethyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811633
1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one
CID 110088248
(6S)-4-ethyl-1-(pyridin-3-ylmethyl)-6-[(2-pyridin-3-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92591666
1-ethyl-4-[2-(3-methoxyphenyl)acetyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250573
1-ethyl-4-[2-(4-methoxyphenyl)acetyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250576
(3S)-1-ethyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 95811893
3-[2-[(2R)-4-ethyl-3-oxo-2-[(3-pyridin-3-ylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 125010761
N-[2-[4-ethyl-2-[[2-(3-methylphenyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
CID 110250454
4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250406
(3S)-4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811815
(3R)-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-1-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]piperazin-2-one
CID 125011408
4-(1-acetylpiperidine-4-carbonyl)-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 110088314

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one?
The IUPAC name of (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one (CID 129453365) is (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one?
The canonical SMILES for (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one is CCN1CCN(C(=O)CCc2cccnc2)[C@H](Cc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one?
The InChIKey is AJVZOPBCVFJTSH-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29N3O2/c1-2-29-17-18-30(26(31)15-14-21-9-8-16-28-20-21)25(27(29)32)19-23-12-6-7-13-24(23)22-10-4-3-5-11-22/h3-13,16,20,25H,2,14-15,17-19H2,1H3/t25-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one?
(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one has a molecular weight of 427.55 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 129453365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).