2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid

C20H26ClNO3 — CID 138641775

IUPAC2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
SMILESCCC(C1CC1)N1C(=O)[C@@](C)(CC(=O)O)CCC1c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO3/c1-3-16(13-4-5-13)22-17(14-6-8-15(21)9-7-14)10-11-20(2,19(22)25)12-18(23)24/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,23,24)/t16?,17?,20-/m1/s1
InChIKeyZLDAHXAKQFNCOO-LBXVMSDZSA-N
MW363.89 g/mol
LogP4.67
Rot. Bonds6

About 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid

2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid (PubChem CID 138641775) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
PubChem CID138641775
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
SMILESCCC(C1CC1)N1C(=O)[C@@](C)(CC(=O)O)CCC1c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO3/c1-3-16(13-4-5-13)22-17(14-6-8-15(21)9-7-14)10-11-20(2,19(22)25)12-18(23)24/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,23,24)/t16?,17?,20-/m1/s1
InChIKeyZLDAHXAKQFNCOO-LBXVMSDZSA-N
XLogP4.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(4-chlorophenyl)-3-methyl-2-oxo-1-(4-oxohexan-3-yl)piperidin-3-yl]acetic acid
CID 138641755
2-[(3R,6S)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-[methylsulfinyl(propan-2-yl)amino]ethyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 138642501
[[2-[(3R)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-pentan-3-ylpiperidin-3-yl]acetyl]amino]urea
CID 138641654
(3R)-1-(2-tert-butylsulfanyl-1-cyclopropylethyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 130458497
(3R)-6-(4-chlorophenyl)-3-methyl-3-(3-methyl-2-oxobutyl)-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one
CID 145382016
(3R)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-hydroxypropyl)-3-methyl-3-prop-2-enylpiperidin-2-one
CID 138641817
2-[(6S)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-hydroxyethyl)-2-oxopiperidin-3-yl]acetic acid
CID 138641350
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S,2S)-1-cyclopropyl-2-hydroxybutyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 67998658
2-[(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-oxopropyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 118422603
2-[(3R,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 58573623
2-[(6S)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-oxopropyl]-3-methyl-5-(3-methylphenyl)-2-oxopiperidin-3-yl]acetic acid
CID 163757865
2-[(3R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(ethylsulfonylamino)ethyl]-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 170188538

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid (CID 138641775) is 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid is CCC(C1CC1)N1C(=O)[C@@](C)(CC(=O)O)CCC1c1ccc(Cl)cc1.
What is the InChIKey of 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid?
The InChIKey is ZLDAHXAKQFNCOO-LBXVMSDZSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-3-16(13-4-5-13)22-17(14-6-8-15(21)9-7-14)10-11-20(2,19(22)25)12-18(23)24/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,23,24)/t16?,17?,20-/m1/s1.
What are the key properties of 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid?
2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid has a molecular weight of 363.89 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-(4-chlorophenyl)-1-(1-cyclopropylpropyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid is sourced from PubChem (CID 138641775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).