(3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one

C15H19BrN2O — CID 100705732

IUPAC(3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1N1CCC(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O/c16-13-3-1-2-12(10-13)11-5-8-18(9-6-11)14-4-7-17-15(14)19/h1-3,10-11,14H,4-9H2,(H,17,19)/t14-/m1/s1
InChIKeyFVVONQGKXVYIHJ-CQSZACIVSA-N
MW323.23 g/mol
LogP2.52
Rot. Bonds2

About (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one

(3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 100705732) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID100705732
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1N1CCC(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O/c16-13-3-1-2-12(10-13)11-5-8-18(9-6-11)14-4-7-17-15(14)19/h1-3,10-11,14H,4-9H2,(H,17,19)/t14-/m1/s1
InChIKeyFVVONQGKXVYIHJ-CQSZACIVSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-1-piperidin-4-ylpiperidine
CID 84605686
3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one
CID 146091201
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
3-(3-bromophenyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120850447
1-[4-(3-bromophenyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 100693549
3-amino-4-[3-(3-bromophenyl)pyrrolidin-1-yl]cyclobut-3-ene-1,2-dione
CID 167812705
(5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one
CID 129411947
1-bromo-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533525
3-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrrolidin-2-one
CID 126913243
2-[2-[4-(3-bromophenyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 139005515
2-(3-bromophenyl)pyrrolidin-3-one
CID 83843081
3-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrrolidin-2-one
CID 126801191

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one (CID 100705732) is (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one is O=C1NCC[C@H]1N1CCC(c2cccc(Br)c2)CC1.
What is the InChIKey of (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is FVVONQGKXVYIHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-3-1-2-12(10-13)11-5-8-18(9-6-11)14-4-7-17-15(14)19/h1-3,10-11,14H,4-9H2,(H,17,19)/t14-/m1/s1.
What are the key properties of (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one?
(3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 323.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(3-bromophenyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 100705732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).