3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one

C23H28N4O2 — CID 45229335

IUPAC3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2ccccn2)C1CC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(26-13-9-19(10-14-26)18-6-2-1-3-7-18)16-21-23(29)25-12-15-27(21)17-20-8-4-5-11-24-20/h1-8,11,19,21H,9-10,12-17H2,(H,25,29)
InChIKeyCBYDXZXTGPQHCF-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.18
Rot. Bonds5

About 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one

3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one (PubChem CID 45229335) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
PubChem CID45229335
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2ccccn2)C1CC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(26-13-9-19(10-14-26)18-6-2-1-3-7-18)16-21-23(29)25-12-15-27(21)17-20-8-4-5-11-24-20/h1-8,11,19,21H,9-10,12-17H2,(H,25,29)
InChIKeyCBYDXZXTGPQHCF-UHFFFAOYSA-N
XLogP2.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one with MolForge

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Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95716955
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 118786306
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95718298
N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide
CID 95714500
(3S)-4-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 25487210
3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45167725
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45224864
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one (CID 45229335) is 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one is O=C1NCCN(Cc2ccccn2)C1CC(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one?
The InChIKey is CBYDXZXTGPQHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(26-13-9-19(10-14-26)18-6-2-1-3-7-18)16-21-23(29)25-12-15-27(21)17-20-8-4-5-11-24-20/h1-8,11,19,21H,9-10,12-17H2,(H,25,29).
What are the key properties of 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one?
3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one has a molecular weight of 392.50 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 45229335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).