2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone

C23H29N3O2 — CID 95809060

IUPAC2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCOCC4)C3)n2)c1
InChIInChI=1S/C23H29N3O2/c1-18-5-2-6-19(15-18)21-8-3-9-22(24-21)20-7-4-10-25(16-20)17-23(27)26-11-13-28-14-12-26/h2-3,5-6,8-9,15,20H,4,7,10-14,16-17H2,1H3/t20-/m1/s1
InChIKeyMKMIBYXVIPMDRX-HXUWFJFHSA-N
MW379.50 g/mol
LogP3.10
Rot. Bonds4

About 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 95809060) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID95809060
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCOCC4)C3)n2)c1
InChIInChI=1S/C23H29N3O2/c1-18-5-2-6-19(15-18)21-8-3-9-22(24-21)20-7-4-10-25(16-20)17-23(27)26-11-13-28-14-12-26/h2-3,5-6,8-9,15,20H,4,7,10-14,16-17H2,1H3/t20-/m1/s1
InChIKeyMKMIBYXVIPMDRX-HXUWFJFHSA-N
XLogP3.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809063
1-morpholin-4-yl-2-[3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255279
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471
2-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95839072
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149301
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
2-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 110268056
2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809077

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 95809060) is 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone is Cc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCOCC4)C3)n2)c1.
What is the InChIKey of 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is MKMIBYXVIPMDRX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-5-2-6-19(15-18)21-8-3-9-22(24-21)20-7-4-10-25(16-20)17-23(27)26-11-13-28-14-12-26/h2-3,5-6,8-9,15,20H,4,7,10-14,16-17H2,1H3/t20-/m1/s1.
What are the key properties of 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 379.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95809060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).