1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone

C21H32N2O2 — CID 58747945

IUPAC1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-16(2)22-12-8-20(9-13-22)25-21-10-14-23(15-11-21)19-6-4-18(5-7-19)17(3)24/h4-7,16,20-21H,8-15H2,1-3H3
InChIKeyGZSMPZFTPWGZAV-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.75
Rot. Bonds5

About 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone

1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone (PubChem CID 58747945) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone
PubChem CID58747945
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-16(2)22-12-8-20(9-13-22)25-21-10-14-23(15-11-21)19-6-4-18(5-7-19)17(3)24/h4-7,16,20-21H,8-15H2,1-3H3
InChIKeyGZSMPZFTPWGZAV-UHFFFAOYSA-N
XLogP3.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone
CID 58747950
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
CID 69354271
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
1-[4-(4-acetylphenyl)piperazin-1-yl]prop-2-en-1-one;2-methylpropane
CID 161095625
morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
CID 59250205
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride
CID 87796411
4-[2-[4-(4-acetylphenyl)piperazin-1-yl]propanoyloxy]butyl 2-[4-(4-acetylphenyl)piperazin-1-yl]propanoate
CID 58835425

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone (CID 58747945) is 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone?
The InChIKey is GZSMPZFTPWGZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(2)22-12-8-20(9-13-22)25-21-10-14-23(15-11-21)19-6-4-18(5-7-19)17(3)24/h4-7,16,20-21H,8-15H2,1-3H3.
What are the key properties of 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone?
1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone has a molecular weight of 344.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 58747945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).