(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one

C21H21Cl2NO — CID 89482128

IUPAC(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one
SMILESO=C1CC[C@H](c2cccc(Cl)c2)[C@@H](C(c2ccc(Cl)cc2)C2CC2)N1
InChIInChI=1S/C21H21Cl2NO/c22-16-8-6-14(7-9-16)20(13-4-5-13)21-18(10-11-19(25)24-21)15-2-1-3-17(23)12-15/h1-3,6-9,12-13,18,20-21H,4-5,10-11H2,(H,24,25)/t18-,20?,21+/m1/s1
InChIKeyXEFCHMITADZAML-IZWFHCBGSA-N
MW374.31 g/mol
LogP5.55
Rot. Bonds4

About (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one

(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one (PubChem CID 89482128) has the molecular formula C21H21Cl2NO and a molecular weight of 374.31 g/mol. Its IUPAC name is (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one
PubChem CID89482128
Molecular FormulaC21H21Cl2NO
Molecular Weight374.31 g/mol
Exact Mass373.10
IUPAC Name(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one
SMILESO=C1CC[C@H](c2cccc(Cl)c2)[C@@H](C(c2ccc(Cl)cc2)C2CC2)N1
InChIInChI=1S/C21H21Cl2NO/c22-16-8-6-14(7-9-16)20(13-4-5-13)21-18(10-11-19(25)24-21)15-2-1-3-17(23)12-15/h1-3,6-9,12-13,18,20-21H,4-5,10-11H2,(H,24,25)/t18-,20?,21+/m1/s1
InChIKeyXEFCHMITADZAML-IZWFHCBGSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
CID 89481668
6-(3-chlorophenyl)piperidine-2,5-dione
CID 22106591
ethyl 2-[[2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]-2-oxopiperidin-3-yl]acetyl]amino]acetate
CID 89481857
(5S,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)oxan-2-one
CID 129153630
4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660
(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one
CID 169323219
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366152
5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one
CID 70644681
2-(3-chlorophenyl)cyclobutane-1-carbaldehyde
CID 105448643
2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014080
2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride
CID 115038654

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one?
The IUPAC name of (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one (CID 89482128) is (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one?
The canonical SMILES for (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one is O=C1CC[C@H](c2cccc(Cl)c2)[C@@H](C(c2ccc(Cl)cc2)C2CC2)N1.
What is the InChIKey of (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one?
The InChIKey is XEFCHMITADZAML-IZWFHCBGSA-N. The full InChI is InChI=1S/C21H21Cl2NO/c22-16-8-6-14(7-9-16)20(13-4-5-13)21-18(10-11-19(25)24-21)15-2-1-3-17(23)12-15/h1-3,6-9,12-13,18,20-21H,4-5,10-11H2,(H,24,25)/t18-,20?,21+/m1/s1.
What are the key properties of (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one?
(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one has a molecular weight of 374.31 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one is sourced from PubChem (CID 89482128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).