[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C22H34N2O3 — CID 70770536

IUPAC[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCC(C)(O)CCc1cccc(C(=O)N2CCC(N3CCCC(O)C3)CC2)c1
InChIInChI=1S/C22H34N2O3/c1-22(2,27)11-8-17-5-3-6-18(15-17)21(26)23-13-9-19(10-14-23)24-12-4-7-20(25)16-24/h3,5-6,15,19-20,25,27H,4,7-14,16H2,1-2H3
InChIKeyGDCHQAPMSQCUNI-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.45
Rot. Bonds5

About [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 70770536) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID70770536
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCC(C)(O)CCc1cccc(C(=O)N2CCC(N3CCCC(O)C3)CC2)c1
InChIInChI=1S/C22H34N2O3/c1-22(2,27)11-8-17-5-3-6-18(15-17)21(26)23-13-9-19(10-14-23)24-12-4-7-20(25)16-24/h3,5-6,15,19-20,25,27H,4,7-14,16H2,1-2H3
InChIKeyGDCHQAPMSQCUNI-UHFFFAOYSA-N
XLogP2.45
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone 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-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528
[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70783319
[(3S,4S)-4-(dimethylamino)-3-hydroxypiperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70743047
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280
[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 133127432
[(3R)-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95891625
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]methanone
CID 95867172
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70767184
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 70727381
[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95874293

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 70770536) is [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is CC(C)(O)CCc1cccc(C(=O)N2CCC(N3CCCC(O)C3)CC2)c1.
What is the InChIKey of [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is GDCHQAPMSQCUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-22(2,27)11-8-17-5-3-6-18(15-17)21(26)23-13-9-19(10-14-23)24-12-4-7-20(25)16-24/h3,5-6,15,19-20,25,27H,4,7-14,16H2,1-2H3.
What are the key properties of [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 374.53 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70770536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).