[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone

C16H23NO4 — CID 95720301

IUPAC[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)N2CCC[C@](O)(CO)C2)cc1C
InChIInChI=1S/C16H23NO4/c1-11-7-13(8-12(2)14(11)21-3)15(19)17-6-4-5-16(20,9-17)10-18/h7-8,18,20H,4-6,9-10H2,1-3H3/t16-/m1/s1
InChIKeyFZHRVPVGNDGZGD-MRXNPFEDSA-N
MW293.36 g/mol
LogP1.27
Rot. Bonds3

About [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone

[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 95720301) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID95720301
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)N2CCC[C@](O)(CO)C2)cc1C
InChIInChI=1S/C16H23NO4/c1-11-7-13(8-12(2)14(11)21-3)15(19)17-6-4-5-16(20,9-17)10-18/h7-8,18,20H,4-6,9-10H2,1-3H3/t16-/m1/s1
InChIKeyFZHRVPVGNDGZGD-MRXNPFEDSA-N
XLogP1.27
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[3-(4-methoxy-3,5-dimethylphenyl)phenyl]methanone
CID 118782589
methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate
CID 56890831
[5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 172671599
2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
CID 120684670
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
[2-(ethylamino)pyrimidin-5-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56898987
(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875036
3-ethyl-6-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 138036070
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 95721965
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone
CID 166245568

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone (CID 95720301) is [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)N2CCC[C@](O)(CO)C2)cc1C.
What is the InChIKey of [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is FZHRVPVGNDGZGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-7-13(8-12(2)14(11)21-3)15(19)17-6-4-5-16(20,9-17)10-18/h7-8,18,20H,4-6,9-10H2,1-3H3/t16-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 293.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 95720301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).