[2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone

C23H28N2O — CID 91779287

IUPAC[2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone
SMILESCc1ccc(Cc2ccccc2C(=O)N2CC(N3CCCCC3)C2)cc1
InChIInChI=1S/C23H28N2O/c1-18-9-11-19(12-10-18)15-20-7-3-4-8-22(20)23(26)25-16-21(17-25)24-13-5-2-6-14-24/h3-4,7-12,21H,2,5-6,13-17H2,1H3
InChIKeyGOQHZKVTNFANMZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.90
Rot. Bonds4

About [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone

[2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone (PubChem CID 91779287) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone
PubChem CID91779287
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name[2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone
SMILESCc1ccc(Cc2ccccc2C(=O)N2CC(N3CCCCC3)C2)cc1
InChIInChI=1S/C23H28N2O/c1-18-9-11-19(12-10-18)15-20-7-3-4-8-22(20)23(26)25-16-21(17-25)24-13-5-2-6-14-24/h3-4,7-12,21H,2,5-6,13-17H2,1H3
InChIKeyGOQHZKVTNFANMZ-UHFFFAOYSA-N
XLogP3.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
(3aR,7aS)-5-methyl-2-[2-[(4-methylphenyl)methyl]benzoyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138382847
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 90648190
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 70762380
2-[(4-methylphenyl)methyl]benzoate
CID 7039635
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878417
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
(7R,10aR)-9-acetyl-2-(2-methylbenzoyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 124520392

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone?
The IUPAC name of [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone (CID 91779287) is [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone is Cc1ccc(Cc2ccccc2C(=O)N2CC(N3CCCCC3)C2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone?
The InChIKey is GOQHZKVTNFANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18-9-11-19(12-10-18)15-20-7-3-4-8-22(20)23(26)25-16-21(17-25)24-13-5-2-6-14-24/h3-4,7-12,21H,2,5-6,13-17H2,1H3.
What are the key properties of [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone?
[2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone has a molecular weight of 348.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methyl]phenyl]-(3-piperidin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 91779287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).