(2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one

C29H38N2O3 — CID 124962429

IUPAC(2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C29H38N2O3/c1-2-26(24-12-6-3-7-13-24)28(33)31-20-16-29(17-21-31,23-34-25-14-8-4-9-15-25)22-27(32)30-18-10-5-11-19-30/h3-4,6-9,12-15,26H,2,5,10-11,16-23H2,1H3/t26-/m1/s1
InChIKeyHIYBEYMQIUOGDP-AREMUKBSSA-N
MW462.63 g/mol
LogP5.27
Rot. Bonds8

About (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one

(2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one (PubChem CID 124962429) has the molecular formula C29H38N2O3 and a molecular weight of 462.63 g/mol. Its IUPAC name is (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
PubChem CID124962429
Molecular FormulaC29H38N2O3
Molecular Weight462.63 g/mol
Exact Mass462.29
IUPAC Name(2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C29H38N2O3/c1-2-26(24-12-6-3-7-13-24)28(33)31-20-16-29(17-21-31,23-34-25-14-8-4-9-15-25)22-27(32)30-18-10-5-11-19-30/h3-4,6-9,12-15,26H,2,5,10-11,16-23H2,1H3/t26-/m1/s1
InChIKeyHIYBEYMQIUOGDP-AREMUKBSSA-N
XLogP5.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[(3R)-3-[(4-fluorophenoxy)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 125015134
(2S)-1-[(3S)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 124966274
(2R)-1-[(3R)-3-(2-morpholin-4-yl-2-oxoethyl)-3-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 125010577
(2R)-1-[(3S)-3-(2-morpholin-4-yl-2-oxoethyl)-3-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 125010579
2-[4-(phenoxymethyl)-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 155990479
2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide
CID 124950616
3-methyl-1-[(3S)-3-(2-oxo-2-piperidin-1-ylethyl)-3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 124945844
2-[1-(6-methylpyridine-3-carbonyl)-4-(phenoxymethyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 155990482
2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 110080780
(2S)-1-[(2S)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-phenylbutan-1-one
CID 124974237
1-[3-(2-oxo-2-piperidin-1-ylethyl)-3-(phenoxymethyl)piperidin-1-yl]hexan-1-one
CID 110081460
1-[(3R)-3-(2-oxo-2-piperidin-1-ylethyl)-3-(phenoxymethyl)piperidin-1-yl]hexan-1-one
CID 125023527

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one (CID 124962429) is (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one is CC[C@@H](C(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one?
The InChIKey is HIYBEYMQIUOGDP-AREMUKBSSA-N. The full InChI is InChI=1S/C29H38N2O3/c1-2-26(24-12-6-3-7-13-24)28(33)31-20-16-29(17-21-31,23-34-25-14-8-4-9-15-25)22-27(32)30-18-10-5-11-19-30/h3-4,6-9,12-15,26H,2,5,10-11,16-23H2,1H3/t26-/m1/s1.
What are the key properties of (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one?
(2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one has a molecular weight of 462.63 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 124962429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).