1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone

C24H25N3O — CID 95809803

IUPAC1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1
InChIInChI=1S/C24H25N3O/c1-18-7-4-8-19(15-18)22-11-5-12-23(26-22)20-9-6-14-27(17-20)24(28)16-21-10-2-3-13-25-21/h2-5,7-8,10-13,15,20H,6,9,14,16-17H2,1H3/t20-/m0/s1
InChIKeyNJDYILFDHFATPU-FQEVSTJZSA-N
MW371.48 g/mol
LogP4.40
Rot. Bonds4

About 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone

1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 95809803) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID95809803
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1
InChIInChI=1S/C24H25N3O/c1-18-7-4-8-19(15-18)22-11-5-12-23(26-22)20-9-6-14-27(17-20)24(28)16-21-10-2-3-13-25-21/h2-5,7-8,10-13,15,20H,6,9,14,16-17H2,1H3/t20-/m0/s1
InChIKeyNJDYILFDHFATPU-FQEVSTJZSA-N
XLogP4.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809810
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819100
3-[3-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255040
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471
1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110237598
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone (CID 95809803) is 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone is Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1.
What is the InChIKey of 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is NJDYILFDHFATPU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18-7-4-8-19(15-18)22-11-5-12-23(26-22)20-9-6-14-27(17-20)24(28)16-21-10-2-3-13-25-21/h2-5,7-8,10-13,15,20H,6,9,14,16-17H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 371.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 95809803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).