(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone

C20H28N2O3 — CID 139006941

IUPAC(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CC(O)(C(C)C)C3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-14(2)20(25)12-22(13-20)19(24)17-5-4-10-21(11-17)18(23)16-8-6-15(3)7-9-16/h6-9,14,17,25H,4-5,10-13H2,1-3H3
InChIKeyUTJDHNANKLHAAG-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.08
Rot. Bonds3

About (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone

(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone (PubChem CID 139006941) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
PubChem CID139006941
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CC(O)(C(C)C)C3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-14(2)20(25)12-22(13-20)19(24)17-5-4-10-21(11-17)18(23)16-8-6-15(3)7-9-16/h6-9,14,17,25H,4-5,10-13H2,1-3H3
InChIKeyUTJDHNANKLHAAG-UHFFFAOYSA-N
XLogP2.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 120815084
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120656131
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one
CID 139002759

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The IUPAC name of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone (CID 139006941) is (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone is Cc1ccc(C(=O)N2CCCC(C(=O)N3CC(O)(C(C)C)C3)C2)cc1.
What is the InChIKey of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The InChIKey is UTJDHNANKLHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)20(25)12-22(13-20)19(24)17-5-4-10-21(11-17)18(23)16-8-6-15(3)7-9-16/h6-9,14,17,25H,4-5,10-13H2,1-3H3.
What are the key properties of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 139006941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).