[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone

C23H24N2O2 — CID 70784479

IUPAC[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H24N2O2/c26-22(18-11-14-24-17-18)25-15-12-21(13-16-25)23(27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,14,17,21,24,27H,12-13,15-16H2
InChIKeyJJLWWSKQEVTFDR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.80
Rot. Bonds4

About [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone

[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 70784479) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID70784479
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H24N2O2/c26-22(18-11-14-24-17-18)25-15-12-21(13-16-25)23(27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,14,17,21,24,27H,12-13,15-16H2
InChIKeyJJLWWSKQEVTFDR-UHFFFAOYSA-N
XLogP3.80
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 70784479) is [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is JJLWWSKQEVTFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22(18-11-14-24-17-18)25-15-12-21(13-16-25)23(27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,14,17,21,24,27H,12-13,15-16H2.
What are the key properties of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 70784479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).