[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone

C29H33N3O2 — CID 132767471

IUPAC[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
SMILESCc1cccc(-c2cccc(C3CCCN(C(=O)c4ccccc4CN4CCOCC4)C3)n2)c1
InChIInChI=1S/C29H33N3O2/c1-22-7-4-9-23(19-22)27-12-5-13-28(30-27)25-10-6-14-32(21-25)29(33)26-11-3-2-8-24(26)20-31-15-17-34-18-16-31/h2-5,7-9,11-13,19,25H,6,10,14-18,20-21H2,1H3
InChIKeyJGTGIOBYBPBVEH-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.91
Rot. Bonds5

About [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone

[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 132767471) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID132767471
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
SMILESCc1cccc(-c2cccc(C3CCCN(C(=O)c4ccccc4CN4CCOCC4)C3)n2)c1
InChIInChI=1S/C29H33N3O2/c1-22-7-4-9-23(19-22)27-12-5-13-28(30-27)25-10-6-14-32(21-25)29(33)26-11-3-2-8-24(26)20-31-15-17-34-18-16-31/h2-5,7-9,11-13,19,25H,6,10,14-18,20-21H2,1H3
InChIKeyJGTGIOBYBPBVEH-UHFFFAOYSA-N
XLogP4.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149301
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
3-[6-[1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 110151582
3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 124953056
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454897
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 124943104
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110149950
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone (CID 132767471) is [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone is Cc1cccc(-c2cccc(C3CCCN(C(=O)c4ccccc4CN4CCOCC4)C3)n2)c1.
What is the InChIKey of [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is JGTGIOBYBPBVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-22-7-4-9-23(19-22)27-12-5-13-28(30-27)25-10-6-14-32(21-25)29(33)26-11-3-2-8-24(26)20-31-15-17-34-18-16-31/h2-5,7-9,11-13,19,25H,6,10,14-18,20-21H2,1H3.
What are the key properties of [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 455.60 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 132767471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).