2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide

C24H26N4O2 — CID 95809886

IUPAC2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
SMILESCOc1ccc(-c2cccc([C@H]3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-20-12-10-18(11-13-20)21-7-4-8-22(26-21)19-6-5-15-28(16-19)17-24(29)27-23-9-2-3-14-25-23/h2-4,7-14,19H,5-6,15-17H2,1H3,(H,25,27,29)/t19-/m0/s1
InChIKeyBSDADXDULNQSTH-IBGZPJMESA-N
MW402.50 g/mol
LogP3.97
Rot. Bonds6

About 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide

2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 95809886) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID95809886
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
SMILESCOc1ccc(-c2cccc([C@H]3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-20-12-10-18(11-13-20)21-7-4-8-22(26-21)19-6-5-15-28(16-19)17-24(29)27-23-9-2-3-14-25-23/h2-4,7-14,19H,5-6,15-17H2,1H3,(H,25,27,29)/t19-/m0/s1
InChIKeyBSDADXDULNQSTH-IBGZPJMESA-N
XLogP3.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
2-[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 95809139
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
2-(4-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249260
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110249660
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95819655
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 124991618
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide (CID 95809886) is 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide is COc1ccc(-c2cccc([C@H]3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1.
What is the InChIKey of 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is BSDADXDULNQSTH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-20-12-10-18(11-13-20)21-7-4-8-22(26-21)19-6-5-15-28(16-19)17-24(29)27-23-9-2-3-14-25-23/h2-4,7-14,19H,5-6,15-17H2,1H3,(H,25,27,29)/t19-/m0/s1.
What are the key properties of 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 402.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 95809886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).