(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one

C25H31NO3 — CID 67540095

IUPAC(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)C(C(C)c3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C25H31NO3/c1-17(18-8-4-3-5-9-18)22-14-20(16-26-25(22)27)19-12-13-23(28-2)24(15-19)29-21-10-6-7-11-21/h3-5,8-9,12-13,15,17,20-22H,6-7,10-11,14,16H2,1-2H3,(H,26,27)/t17?,20-,22?/m1/s1
InChIKeyBTESUUNTJKFHCD-LVKMRUPZSA-N
MW393.53 g/mol
LogP5.04
Rot. Bonds6

About (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one

(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one (PubChem CID 67540095) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one
PubChem CID67540095
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)C(C(C)c3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C25H31NO3/c1-17(18-8-4-3-5-9-18)22-14-20(16-26-25(22)27)19-12-13-23(28-2)24(15-19)29-21-10-6-7-11-21/h3-5,8-9,12-13,15,17,20-22H,6-7,10-11,14,16H2,1-2H3,(H,26,27)/t17?,20-,22?/m1/s1
InChIKeyBTESUUNTJKFHCD-LVKMRUPZSA-N
XLogP5.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one
CID 67540900
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
CID 67536530
2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide
CID 67540503
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 67540464
(3S,5S)-3-[(4-tert-butylanilino)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67536125
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one
CID 67538278
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69046206
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-heptoxyphenyl)methyl]piperidin-2-one
CID 67538407
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-hexoxyphenyl)methyl]piperidin-2-one
CID 67540998

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one?
The IUPAC name of (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one (CID 67540095) is (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one?
The canonical SMILES for (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one is COc1ccc([C@H]2CNC(=O)C(C(C)c3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one?
The InChIKey is BTESUUNTJKFHCD-LVKMRUPZSA-N. The full InChI is InChI=1S/C25H31NO3/c1-17(18-8-4-3-5-9-18)22-14-20(16-26-25(22)27)19-12-13-23(28-2)24(15-19)29-21-10-6-7-11-21/h3-5,8-9,12-13,15,17,20-22H,6-7,10-11,14,16H2,1-2H3,(H,26,27)/t17?,20-,22?/m1/s1.
What are the key properties of (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one?
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one has a molecular weight of 393.53 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one is sourced from PubChem (CID 67540095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).