4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one

C22H34N4O2 — CID 118786117

IUPAC4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(CN2CCC(N3CCN(CCO)CC3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H34N4O2/c27-15-14-23-10-12-25(13-11-23)20-6-8-24(9-7-20)17-19-16-22(28)26(18-19)21-4-2-1-3-5-21/h1-5,19-20,27H,6-18H2
InChIKeyAJINPBXHJFWLPD-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.11
Rot. Bonds6

About 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one

4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 118786117) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
PubChem CID118786117
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(CN2CCC(N3CCN(CCO)CC3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H34N4O2/c27-15-14-23-10-12-25(13-11-23)20-6-8-24(9-7-20)17-19-16-22(28)26(18-19)21-4-2-1-3-5-21/h1-5,19-20,27H,6-18H2
InChIKeyAJINPBXHJFWLPD-UHFFFAOYSA-N
XLogP1.11
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125156440
(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one
CID 125173786
4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
CID 118779442
(4S)-4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125165477
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
2-[4-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 125171216
(4S)-1-phenyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrolidin-2-one
CID 125156467
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one (CID 118786117) is 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one is O=C1CC(CN2CCC(N3CCN(CCO)CC3)CC2)CN1c1ccccc1.
What is the InChIKey of 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is AJINPBXHJFWLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c27-15-14-23-10-12-25(13-11-23)20-6-8-24(9-7-20)17-19-16-22(28)26(18-19)21-4-2-1-3-5-21/h1-5,19-20,27H,6-18H2.
What are the key properties of 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one?
4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 386.54 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 118786117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).