(4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one

C21H25N3O4 — CID 92565731

IUPAC(4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one
SMILESCc1nccn1CC1(O)CCN(C(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H25N3O4/c1-15-22-9-12-24(15)14-21(27)7-10-23(11-8-21)20(26)17-13-18(25)28-19(17)16-5-3-2-4-6-16/h2-6,9,12,17,19,27H,7-8,10-11,13-14H2,1H3/t17-,19-/m1/s1
InChIKeyPWAKCQXARWSIRS-IEBWSBKVSA-N
MW383.45 g/mol
LogP1.85
Rot. Bonds4

About (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one

(4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one (PubChem CID 92565731) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one
PubChem CID92565731
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one
SMILESCc1nccn1CC1(O)CCN(C(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H25N3O4/c1-15-22-9-12-24(15)14-21(27)7-10-23(11-8-21)20(26)17-13-18(25)28-19(17)16-5-3-2-4-6-16/h2-6,9,12,17,19,27H,7-8,10-11,13-14H2,1H3/t17-,19-/m1/s1
InChIKeyPWAKCQXARWSIRS-IEBWSBKVSA-N
XLogP1.85
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one with MolForge

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 110221629
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 46955376
1-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(2-methoxyphenoxy)butan-1-one
CID 110221634
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-7-methylquinazolin-4-one
CID 170125371
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 150037575
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 86284577
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 155433977
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 92565758
(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97197653
1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 84657338

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one?
The IUPAC name of (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one (CID 92565731) is (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one is Cc1nccn1CC1(O)CCN(C(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one?
The InChIKey is PWAKCQXARWSIRS-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15-22-9-12-24(15)14-21(27)7-10-23(11-8-21)20(26)17-13-18(25)28-19(17)16-5-3-2-4-6-16/h2-6,9,12,17,19,27H,7-8,10-11,13-14H2,1H3/t17-,19-/m1/s1.
What are the key properties of (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one?
(4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one has a molecular weight of 383.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one is sourced from PubChem (CID 92565731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).