[1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone

C32H36N2O2 — CID 42868439

IUPAC[1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone
SMILESCc1cccc(C2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C32H36N2O2/c1-24-9-8-14-28(19-24)29-21-30(23-34(22-29)31(35)27-12-6-3-7-13-27)32(36)33-17-15-26(16-18-33)20-25-10-4-2-5-11-25/h2-14,19,26,29-30H,15-18,20-23H2,1H3
InChIKeySBCVOLGEEVAOLF-UHFFFAOYSA-N
MW480.65 g/mol
LogP5.72
Rot. Bonds5

About [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone

[1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone (PubChem CID 42868439) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone
PubChem CID42868439
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name[1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone
SMILESCc1cccc(C2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C32H36N2O2/c1-24-9-8-14-28(19-24)29-21-30(23-34(22-29)31(35)27-12-6-3-7-13-27)32(36)33-17-15-26(16-18-33)20-25-10-4-2-5-11-25/h2-14,19,26,29-30H,15-18,20-23H2,1H3
InChIKeySBCVOLGEEVAOLF-UHFFFAOYSA-N
XLogP5.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 46065202
1-[(3S,5R)-3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 92995292
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907
1-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 46166988
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
cyclopentyl-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 42865360
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
(4-benzylpiperidin-1-yl)-[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 100780199
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770

Frequently Asked Questions

What is the IUPAC name of [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone?
The IUPAC name of [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone (CID 42868439) is [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone?
The canonical SMILES for [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone is Cc1cccc(C2CC(C(=O)N3CCC(Cc4ccccc4)CC3)CN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone?
The InChIKey is SBCVOLGEEVAOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-24-9-8-14-28(19-24)29-21-30(23-34(22-29)31(35)27-12-6-3-7-13-27)32(36)33-17-15-26(16-18-33)20-25-10-4-2-5-11-25/h2-14,19,26,29-30H,15-18,20-23H2,1H3.
What are the key properties of [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone?
[1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone has a molecular weight of 480.65 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzoyl-5-(3-methylphenyl)piperidin-3-yl]-(4-benzylpiperidin-1-yl)methanone is sourced from PubChem (CID 42868439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).