[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone

C24H24N2O3 — CID 119062941

IUPAC[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2cccc(O)c2)c1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C24H24N2O3/c27-21-8-4-6-19(16-21)18-5-3-7-20(15-18)24(29)26-13-10-17(11-14-26)23(28)22-9-1-2-12-25-22/h1-9,12,15-17,23,27-28H,10-11,13-14H2
InChIKeyCOLRIENKBVNZTI-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.04
Rot. Bonds4

About [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone

[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 119062941) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID119062941
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2cccc(O)c2)c1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C24H24N2O3/c27-21-8-4-6-19(16-21)18-5-3-7-20(15-18)24(29)26-13-10-17(11-14-26)23(28)22-9-1-2-12-25-22/h1-9,12,15-17,23,27-28H,10-11,13-14H2
InChIKeyCOLRIENKBVNZTI-UHFFFAOYSA-N
XLogP4.04
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95124482
7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 99933809
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 75590068
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 91772101
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 90651890
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 90650827
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 118793416
[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
CID 125154753
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone (CID 119062941) is [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone is O=C(c1cccc(-c2cccc(O)c2)c1)N1CCC(C(O)c2ccccn2)CC1.
What is the InChIKey of [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is COLRIENKBVNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-21-8-4-6-19(16-21)18-5-3-7-20(15-18)24(29)26-13-10-17(11-14-26)23(28)22-9-1-2-12-25-22/h1-9,12,15-17,23,27-28H,10-11,13-14H2.
What are the key properties of [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone?
[3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxyphenyl)phenyl]-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 119062941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).