1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C23H29N3O2 — CID 95810071

IUPAC1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCOc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1
InChIInChI=1S/C23H29N3O2/c1-28-20-9-4-7-18(15-20)21-10-5-11-22(24-21)19-8-6-14-26(16-19)23(27)17-25-12-2-3-13-25/h4-5,7,9-11,15,19H,2-3,6,8,12-14,16-17H2,1H3/t19-/m1/s1
InChIKeyACIQWJXBBVHIQU-LJQANCHMSA-N
MW379.50 g/mol
LogP3.56
Rot. Bonds5

About 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 95810071) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID95810071
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCOc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1
InChIInChI=1S/C23H29N3O2/c1-28-20-9-4-7-18(15-20)21-10-5-11-22(24-21)19-8-6-14-26(16-19)23(27)17-25-12-2-3-13-25/h4-5,7,9-11,15,19H,2-3,6,8,12-14,16-17H2,1H3/t19-/m1/s1
InChIKeyACIQWJXBBVHIQU-LJQANCHMSA-N
XLogP3.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95819602
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110249997
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249322
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95809691
2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255416
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 95810071) is 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)n2)c1.
What is the InChIKey of 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is ACIQWJXBBVHIQU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-20-9-4-7-18(15-20)21-10-5-11-22(24-21)19-8-6-14-26(16-19)23(27)17-25-12-2-3-13-25/h4-5,7,9-11,15,19H,2-3,6,8,12-14,16-17H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 379.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 95810071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).