1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one

C19H20BrNO — CID 24776493

IUPAC1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2ccccc2Br)CN1Cc1ccccc1
InChIInChI=1S/C19H20BrNO/c20-18-9-5-4-8-17(18)12-16-10-11-19(22)21(14-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyPDHDGOVEMTWEBO-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.43
Rot. Bonds4

About 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one

1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one (PubChem CID 24776493) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one
PubChem CID24776493
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2ccccc2Br)CN1Cc1ccccc1
InChIInChI=1S/C19H20BrNO/c20-18-9-5-4-8-17(18)12-16-10-11-19(22)21(14-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyPDHDGOVEMTWEBO-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one
CID 157327222
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one
CID 10691445
(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069
1-[(2-bromophenyl)methyl]-4-chloropyrrolidin-2-one
CID 168688744
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
5-benzyl-1-(2,6-dichlorophenyl)piperidin-2-one
CID 10308723
3-benzyl-5-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23029979
5-(7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-1-[(2-bromophenyl)methyl]pyrrolidin-2-one
CID 122422762
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one (CID 24776493) is 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one is O=C1CCC(Cc2ccccc2Br)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one?
The InChIKey is PDHDGOVEMTWEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c20-18-9-5-4-8-17(18)12-16-10-11-19(22)21(14-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one?
1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one has a molecular weight of 358.28 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 24776493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).