5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one

C26H26Cl2N2O2 — CID 89481668

IUPAC5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
SMILESCc1cc(CC2CC(c3cccc(Cl)c3)C(C(c3ccc(Cl)cc3)C3CC3)NC2=O)no1
InChIInChI=1S/C26H26Cl2N2O2/c1-15-11-22(30-32-15)13-19-14-23(18-3-2-4-21(28)12-18)25(29-26(19)31)24(16-5-6-16)17-7-9-20(27)10-8-17/h2-4,7-12,16,19,23-25H,5-6,13-14H2,1H3,(H,29,31)
InChIKeyCKYTVGXRIWVBKU-UHFFFAOYSA-N
MW469.41 g/mol
LogP6.31
Rot. Bonds6

About 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one

5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one (PubChem CID 89481668) has the molecular formula C26H26Cl2N2O2 and a molecular weight of 469.41 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
PubChem CID89481668
Molecular FormulaC26H26Cl2N2O2
Molecular Weight469.41 g/mol
Exact Mass468.14
IUPAC Name5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
SMILESCc1cc(CC2CC(c3cccc(Cl)c3)C(C(c3ccc(Cl)cc3)C3CC3)NC2=O)no1
InChIInChI=1S/C26H26Cl2N2O2/c1-15-11-22(30-32-15)13-19-14-23(18-3-2-4-21(28)12-18)25(29-26(19)31)24(16-5-6-16)17-7-9-20(27)10-8-17/h2-4,7-12,16,19,23-25H,5-6,13-14H2,1H3,(H,29,31)
InChIKeyCKYTVGXRIWVBKU-UHFFFAOYSA-N
XLogP6.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.41
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one with MolForge

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Related Compounds

2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopentylmethyl]-2-oxopiperidin-3-yl]acetic acid
CID 89481768
ethyl 2-[[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-2-oxopiperidin-3-yl]acetyl]amino]acetate
CID 89481857
(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one
CID 89482128
(3S,5R,6S)-5-(3-chlorophenyl)-6-[4-(4-chlorophenyl)-3-methyl-4-methylsulfanylbutan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 89481723
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[(4S)-4-(4-chlorophenyl)-4-morpholin-4-ylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 89481309
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[3-[(S)-(4-chlorophenyl)-propan-2-ylsulfonylmethyl]pentan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 89481271
(3S,5R,6S)-5-(3-chlorophenyl)-6-[4-(4-chlorophenyl)-3-methyl-4-piperazin-1-ylbutan-2-yl]-3-prop-2-enylpiperidin-2-one
CID 89482069
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[4-(4-chlorophenyl)-4-[ethylsulfonyl(methyl)amino]-3-methylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 89481361
5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one
CID 70644681
(3R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-2-one
CID 70644313
(3S,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methylpentan-3-yl]-3-prop-2-enylpiperidin-2-one
CID 89481245
(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one
CID 27879726

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one (CID 89481668) is 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one is Cc1cc(CC2CC(c3cccc(Cl)c3)C(C(c3ccc(Cl)cc3)C3CC3)NC2=O)no1.
What is the InChIKey of 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one?
The InChIKey is CKYTVGXRIWVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O2/c1-15-11-22(30-32-15)13-19-14-23(18-3-2-4-21(28)12-18)25(29-26(19)31)24(16-5-6-16)17-7-9-20(27)10-8-17/h2-4,7-12,16,19,23-25H,5-6,13-14H2,1H3,(H,29,31).
What are the key properties of 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one?
5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one has a molecular weight of 469.41 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 89481668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).