1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone

C25H26N2O3 — CID 46969298

IUPAC1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone
SMILESO=C(COc1ccccn1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H26N2O3/c28-24(19-30-23-13-7-8-16-26-23)27-17-14-22(15-18-27)25(29,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,29H,14-15,17-19H2
InChIKeyKQGGKXFRUSWESR-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.64
Rot. Bonds6

About 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone

1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone (PubChem CID 46969298) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone
PubChem CID46969298
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone
SMILESO=C(COc1ccccn1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H26N2O3/c28-24(19-30-23-13-7-8-16-26-23)27-17-14-22(15-18-27)25(29,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,29H,14-15,17-19H2
InChIKeyKQGGKXFRUSWESR-UHFFFAOYSA-N
XLogP3.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 127244484
4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide
CID 136515317
3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
CID 129417057
1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid
CID 62657041
(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide
CID 94512704
1-[4-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)piperidin-1-yl]-2-pyridin-2-yloxyethanone
CID 110071548

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone?
The IUPAC name of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone (CID 46969298) is 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone.
What is the SMILES notation for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone?
The canonical SMILES for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone is O=C(COc1ccccn1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone?
The InChIKey is KQGGKXFRUSWESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-24(19-30-23-13-7-8-16-26-23)27-17-14-22(15-18-27)25(29,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,22,29H,14-15,17-19H2.
What are the key properties of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone?
1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone has a molecular weight of 402.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-pyridin-2-yloxyethanone is sourced from PubChem (CID 46969298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).