(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one

C23H31NO3 — CID 67536120

IUPAC(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one
SMILESC=CCC1(CC=C)C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)CNC1=O
InChIInChI=1S/C23H31NO3/c1-4-12-23(13-5-2)15-18(16-24-22(23)25)17-10-11-20(26-3)21(14-17)27-19-8-6-7-9-19/h4-5,10-11,14,18-19H,1-2,6-9,12-13,15-16H2,3H3,(H,24,25)/t18-/m1/s1
InChIKeyYURZPWLYXURAHU-GOSISDBHSA-N
MW369.51 g/mol
LogP4.76
Rot. Bonds8

About (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one

(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one (PubChem CID 67536120) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one
PubChem CID67536120
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one
SMILESC=CCC1(CC=C)C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)CNC1=O
InChIInChI=1S/C23H31NO3/c1-4-12-23(13-5-2)15-18(16-24-22(23)25)17-10-11-20(26-3)21(14-17)27-19-8-6-7-9-19/h4-5,10-11,14,18-19H,1-2,6-9,12-13,15-16H2,3H3,(H,24,25)/t18-/m1/s1
InChIKeyYURZPWLYXURAHU-GOSISDBHSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-dimethoxyphenyl)methylidene]piperidin-2-one
CID 67536516
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)piperidin-2-one
CID 67536494
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one
CID 67540095
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 67540464
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-fluoro-4-methoxyphenyl)methylidene]piperidin-2-one
CID 67535668
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
CID 67536530
(3S,5S)-3-[(4-tert-butylanilino)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67536125

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one?
The IUPAC name of (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one (CID 67536120) is (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one?
The canonical SMILES for (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one is C=CCC1(CC=C)C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)CNC1=O.
What is the InChIKey of (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one?
The InChIKey is YURZPWLYXURAHU-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-12-23(13-5-2)15-18(16-24-22(23)25)17-10-11-20(26-3)21(14-17)27-19-8-6-7-9-19/h4-5,10-11,14,18-19H,1-2,6-9,12-13,15-16H2,3H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one?
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one has a molecular weight of 369.51 g/mol, XLogP of 4.76, 8 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)-3,3-bis(prop-2-enyl)piperidin-2-one is sourced from PubChem (CID 67536120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).