[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone

C25H26N2O2 — CID 95808984

IUPAC[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C25H26N2O2/c1-29-24-13-6-5-10-21(24)18-22-11-7-12-23(26-22)19-14-16-27(17-15-19)25(28)20-8-3-2-4-9-20/h2-13,19H,14-18H2,1H3
InChIKeyWQLMWPWLGZXIJG-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.70
Rot. Bonds5

About [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone

[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone (PubChem CID 95808984) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
PubChem CID95808984
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C25H26N2O2/c1-29-24-13-6-5-10-21(24)18-22-11-7-12-23(26-22)19-14-16-27(17-15-19)25(28)20-8-3-2-4-9-20/h2-13,19H,14-18H2,1H3
InChIKeyWQLMWPWLGZXIJG-UHFFFAOYSA-N
XLogP4.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809660
[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809453
2-[(2-methoxyphenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine
CID 95809169
1-[4-[2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110254712
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[4-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110152211
3-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]benzoic acid
CID 120551630
2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818195
[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809553
(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810801
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-phenylmethanone
CID 121097488

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone (CID 95808984) is [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone is COc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is WQLMWPWLGZXIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-29-24-13-6-5-10-21(24)18-22-11-7-12-23(26-22)19-14-16-27(17-15-19)25(28)20-8-3-2-4-9-20/h2-13,19H,14-18H2,1H3.
What are the key properties of [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 386.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95808984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).