1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one

C29H34N2O3 — CID 18446026

IUPAC1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(OCC(O)CN2CCC(c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C29H34N2O3/c32-27(21-34-28-8-3-5-22(17-28)19-31-14-4-9-29(31)33)20-30-15-12-24(13-16-30)26-11-10-23-6-1-2-7-25(23)18-26/h1-3,5-8,10-11,17-18,24,27,32H,4,9,12-16,19-21H2
InChIKeyOPRKYWZIPSLGAR-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.58
Rot. Bonds8

About 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one

1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one (PubChem CID 18446026) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one
PubChem CID18446026
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(OCC(O)CN2CCC(c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C29H34N2O3/c32-27(21-34-28-8-3-5-22(17-28)19-31-14-4-9-29(31)33)20-30-15-12-24(13-16-30)26-11-10-23-6-1-2-7-25(23)18-26/h1-3,5-8,10-11,17-18,24,27,32H,4,9,12-16,19-21H2
InChIKeyOPRKYWZIPSLGAR-UHFFFAOYSA-N
XLogP4.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 139825531
1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 175643135
3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one
CID 154500256
(2R)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285580
(2S)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285581
(3Z)-3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methylidene]pyrrolidin-2-one
CID 18446034
1-[2-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 95325339
1-[2-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]ethyl]piperidin-2-one
CID 45175842
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidine-4-carboxylate
CID 45205503

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one (CID 18446026) is 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cccc(OCC(O)CN2CCC(c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is OPRKYWZIPSLGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c32-27(21-34-28-8-3-5-22(17-28)19-31-14-4-9-29(31)33)20-30-15-12-24(13-16-30)26-11-10-23-6-1-2-7-25(23)18-26/h1-3,5-8,10-11,17-18,24,27,32H,4,9,12-16,19-21H2.
What are the key properties of 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 458.60 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 18446026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).