4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one

C24H27BrN2O2 — CID 46109656

IUPAC4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(Cc3ccccc3)CC2)CN1Cc1cccc(Br)c1
InChIInChI=1S/C24H27BrN2O2/c25-22-8-4-7-20(14-22)16-27-17-21(15-23(27)28)24(29)26-11-9-19(10-12-26)13-18-5-2-1-3-6-18/h1-8,14,19,21H,9-13,15-17H2
InChIKeyXYQLYCJSOXVNRI-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.28
Rot. Bonds5

About 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one

4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one (PubChem CID 46109656) has the molecular formula C24H27BrN2O2 and a molecular weight of 455.40 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one
PubChem CID46109656
Molecular FormulaC24H27BrN2O2
Molecular Weight455.40 g/mol
Exact Mass454.13
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(Cc3ccccc3)CC2)CN1Cc1cccc(Br)c1
InChIInChI=1S/C24H27BrN2O2/c25-22-8-4-7-20(14-22)16-27-17-21(15-23(27)28)24(29)26-11-9-19(10-12-26)13-18-5-2-1-3-6-18/h1-8,14,19,21H,9-13,15-17H2
InChIKeyXYQLYCJSOXVNRI-UHFFFAOYSA-N
XLogP4.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837745
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
ethyl 1-[1-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 46109661
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17120290
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 119410591
(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 93017811
N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922031
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one (CID 46109656) is 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(Cc3ccccc3)CC2)CN1Cc1cccc(Br)c1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one?
The InChIKey is XYQLYCJSOXVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O2/c25-22-8-4-7-20(14-22)16-27-17-21(15-23(27)28)24(29)26-11-9-19(10-12-26)13-18-5-2-1-3-6-18/h1-8,14,19,21H,9-13,15-17H2.
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one?
4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one has a molecular weight of 455.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 46109656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).