(3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one

C19H26ClNO2 — CID 138641954

IUPAC(3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@H]1CCC(c2ccc(Cl)cc2)N(C(CC)COC)C1=O
InChIInChI=1S/C19H26ClNO2/c1-4-6-15-9-12-18(14-7-10-16(20)11-8-14)21(19(15)22)17(5-2)13-23-3/h4,7-8,10-11,15,17-18H,1,5-6,9,12-13H2,2-3H3/t15-,17?,18?/m0/s1
InChIKeyILODYLSVENEDQB-ZLPCBKJTSA-N
MW335.88 g/mol
LogP4.62
Rot. Bonds7

About (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one

(3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one (PubChem CID 138641954) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one
PubChem CID138641954
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name(3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@H]1CCC(c2ccc(Cl)cc2)N(C(CC)COC)C1=O
InChIInChI=1S/C19H26ClNO2/c1-4-6-15-9-12-18(14-7-10-16(20)11-8-14)21(19(15)22)17(5-2)13-23-3/h4,7-8,10-11,15,17-18H,1,5-6,9,12-13H2,2-3H3/t15-,17?,18?/m0/s1
InChIKeyILODYLSVENEDQB-ZLPCBKJTSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-(4-chlorophenyl)-1-[1-(cyclopropylmethoxy)butan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 138641349
(3R)-6-(4-chlorophenyl)-1-[(2S)-1-ethylsulfanylbutan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 138641588
6-(4-chlorophenyl)-1-(5-hydroxyhexan-3-yl)-3-prop-2-enylpiperidin-2-one
CID 138641630
6-(4-chlorophenyl)-1-(7-oxooctan-3-yl)-3-prop-2-enylpiperidin-2-one
CID 138641449
(3R)-6-(4-chlorophenyl)-1-[1-(oxan-2-yl)propyl]-3-prop-2-enylpiperidin-2-one
CID 138641760
6-(4-chlorophenyl)-1-(3-methyl-1-propan-2-ylsulfanylbutan-2-yl)-3-prop-2-enylpiperidin-2-one
CID 144758098
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-(cyclopropylmethoxy)butan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 58573741
ethyl 2-[2-[(2S,3R,5S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-5-prop-2-enylpiperidin-1-yl]butoxy]acetate
CID 67999694
2-[(3R)-6-(4-chlorophenyl)-2-oxo-1-[(3S)-6,6,6-trifluoro-5-hydroxyhexan-3-yl]piperidin-3-yl]acetic acid
CID 170300097
2-[(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-methoxybutan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 129153536
N-[2-[(6S)-6-(4-chlorophenyl)-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]-N-pyridin-3-ylmethanesulfinamide
CID 138642050
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-3-prop-2-enylpiperidin-2-one
CID 67998288

Frequently Asked Questions

What is the IUPAC name of (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one?
The IUPAC name of (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one (CID 138641954) is (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one is C=CC[C@H]1CCC(c2ccc(Cl)cc2)N(C(CC)COC)C1=O.
What is the InChIKey of (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one?
The InChIKey is ILODYLSVENEDQB-ZLPCBKJTSA-N. The full InChI is InChI=1S/C19H26ClNO2/c1-4-6-15-9-12-18(14-7-10-16(20)11-8-14)21(19(15)22)17(5-2)13-23-3/h4,7-8,10-11,15,17-18H,1,5-6,9,12-13H2,2-3H3/t15-,17?,18?/m0/s1.
What are the key properties of (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one?
(3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one has a molecular weight of 335.88 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(4-chlorophenyl)-1-(1-methoxybutan-2-yl)-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 138641954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).