1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one

C24H37N3O3 — CID 45211340

IUPAC1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccccc2OCC(O)CN2CCCCC2)CCN1C1CCCC1
InChIInChI=1S/C24H37N3O3/c28-22(17-25-12-6-1-7-13-25)19-30-23-11-5-2-8-20(23)16-26-14-15-27(24(29)18-26)21-9-3-4-10-21/h2,5,8,11,21-22,28H,1,3-4,6-7,9-10,12-19H2
InChIKeyCHBNNHLLFZNAII-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.50
Rot. Bonds8

About 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one

1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one (PubChem CID 45211340) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one
PubChem CID45211340
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccccc2OCC(O)CN2CCCCC2)CCN1C1CCCC1
InChIInChI=1S/C24H37N3O3/c28-22(17-25-12-6-1-7-13-25)19-30-23-11-5-2-8-20(23)16-26-14-15-27(24(29)18-26)21-9-3-4-10-21/h2,5,8,11,21-22,28H,1,3-4,6-7,9-10,12-19H2
InChIKeyCHBNNHLLFZNAII-UHFFFAOYSA-N
XLogP2.50
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one with MolForge

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Related Compounds

1-[4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 97285514
(2R)-1-[2-(piperidin-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280232
1-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperidine-4-carbonitrile
CID 97272514
3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide
CID 29218545
1-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperidine-4-carbonitrile
CID 97272513
1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one
CID 50952577
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1-[2-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 72900063
(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 97274933
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one (CID 45211340) is 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one is O=C1CN(Cc2ccccc2OCC(O)CN2CCCCC2)CCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one?
The InChIKey is CHBNNHLLFZNAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c28-22(17-25-12-6-1-7-13-25)19-30-23-11-5-2-8-20(23)16-26-14-15-27(24(29)18-26)21-9-3-4-10-21/h2,5,8,11,21-22,28H,1,3-4,6-7,9-10,12-19H2.
What are the key properties of 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one?
1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one has a molecular weight of 415.58 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 45211340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).