(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one

C30H33NO4 — CID 67540900

IUPAC(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)[C@H](Cc3ccc(Oc4ccccc4)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C30H33NO4/c1-33-28-16-13-22(19-29(28)35-26-9-5-6-10-26)24-18-23(30(32)31-20-24)17-21-11-14-27(15-12-21)34-25-7-3-2-4-8-25/h2-4,7-8,11-16,19,23-24,26H,5-6,9-10,17-18,20H2,1H3,(H,31,32)/t23-,24-/m1/s1
InChIKeyPXONCSVGZAGABJ-DNQXCXABSA-N
MW471.60 g/mol
LogP6.27
Rot. Bonds8

About (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one

(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one (PubChem CID 67540900) has the molecular formula C30H33NO4 and a molecular weight of 471.60 g/mol. Its IUPAC name is (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one
PubChem CID67540900
Molecular FormulaC30H33NO4
Molecular Weight471.60 g/mol
Exact Mass471.24
IUPAC Name(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)[C@H](Cc3ccc(Oc4ccccc4)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C30H33NO4/c1-33-28-16-13-22(19-29(28)35-26-9-5-6-10-26)24-18-23(30(32)31-20-24)17-21-11-14-27(15-12-21)34-25-7-3-2-4-8-25/h2-4,7-8,11-16,19,23-24,26H,5-6,9-10,17-18,20H2,1H3,(H,31,32)/t23-,24-/m1/s1
InChIKeyPXONCSVGZAGABJ-DNQXCXABSA-N
XLogP6.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one with MolForge

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Related Compounds

5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69046206
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
CID 67536530
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one
CID 67538278
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 67540464
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-hexoxyphenyl)methyl]piperidin-2-one
CID 67540998
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-heptoxyphenyl)methyl]piperidin-2-one
CID 67538407
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one
CID 77309850
2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide
CID 67540503
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one
CID 67540095
3-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 69049167
(3S,5S)-3-[(4-tert-butylanilino)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67536125
(3R,5S)-3-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67538025

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one?
The IUPAC name of (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one (CID 67540900) is (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one is COc1ccc([C@H]2CNC(=O)[C@H](Cc3ccc(Oc4ccccc4)cc3)C2)cc1OC1CCCC1.
What is the InChIKey of (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one?
The InChIKey is PXONCSVGZAGABJ-DNQXCXABSA-N. The full InChI is InChI=1S/C30H33NO4/c1-33-28-16-13-22(19-29(28)35-26-9-5-6-10-26)24-18-23(30(32)31-20-24)17-21-11-14-27(15-12-21)34-25-7-3-2-4-8-25/h2-4,7-8,11-16,19,23-24,26H,5-6,9-10,17-18,20H2,1H3,(H,31,32)/t23-,24-/m1/s1.
What are the key properties of (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one?
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one has a molecular weight of 471.60 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 67540900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).