(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone

C20H30N2O3 — CID 174517475

IUPAC(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
SMILESCC(C)c1cccc(C2CCN(C(=O)C3NCCC(O)C3O)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-13(2)15-4-3-5-16(12-15)14-7-10-22(11-8-14)20(25)18-19(24)17(23)6-9-21-18/h3-5,12-14,17-19,21,23-24H,6-11H2,1-2H3
InChIKeyQMXPEXULUXVXJJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.60
Rot. Bonds3

About (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone

(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone (PubChem CID 174517475) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
PubChem CID174517475
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
SMILESCC(C)c1cccc(C2CCN(C(=O)C3NCCC(O)C3O)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-13(2)15-4-3-5-16(12-15)14-7-10-22(11-8-14)20(25)18-19(24)17(23)6-9-21-18/h3-5,12-14,17-19,21,23-24H,6-11H2,1-2H3
InChIKeyQMXPEXULUXVXJJ-UHFFFAOYSA-N
XLogP1.60
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 87872491
N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide
CID 72758726
1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone
CID 173069596
3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid
CID 174517256
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 67401317
(4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone
CID 23531937
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
CID 59117548
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
CID 117374139
(2S,3S,5S)-N,5-dihydroxy-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide
CID 11406573

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone (CID 174517475) is (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone is CC(C)c1cccc(C2CCN(C(=O)C3NCCC(O)C3O)CC2)c1.
What is the InChIKey of (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone?
The InChIKey is QMXPEXULUXVXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)15-4-3-5-16(12-15)14-7-10-22(11-8-14)20(25)18-19(24)17(23)6-9-21-18/h3-5,12-14,17-19,21,23-24H,6-11H2,1-2H3.
What are the key properties of (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone?
(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 174517475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).