2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone

C25H24N4O — CID 110236867

IUPAC2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCCC(c2[nH]c3ccccc3c2-c2ccncc2)C1
InChIInChI=1S/C25H24N4O/c30-23(16-20-7-3-4-12-27-20)29-15-5-6-19(17-29)25-24(18-10-13-26-14-11-18)21-8-1-2-9-22(21)28-25/h1-4,7-14,19,28H,5-6,15-17H2
InChIKeyCEZMTUWHJFNTBC-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.57
Rot. Bonds4

About 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone

2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 110236867) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID110236867
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCCC(c2[nH]c3ccccc3c2-c2ccncc2)C1
InChIInChI=1S/C25H24N4O/c30-23(16-20-7-3-4-12-27-20)29-15-5-6-19(17-29)25-24(18-10-13-26-14-11-18)21-8-1-2-9-22(21)28-25/h1-4,7-14,19,28H,5-6,15-17H2
InChIKeyCEZMTUWHJFNTBC-UHFFFAOYSA-N
XLogP4.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95856126
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098665
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110237598
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110237052
[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95856127
2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
CID 106813448
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92560138
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 51586304

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone (CID 110236867) is 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1ccccn1)N1CCCC(c2[nH]c3ccccc3c2-c2ccncc2)C1.
What is the InChIKey of 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is CEZMTUWHJFNTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-23(16-20-7-3-4-12-27-20)29-15-5-6-19(17-29)25-24(18-10-13-26-14-11-18)21-8-1-2-9-22(21)28-25/h1-4,7-14,19,28H,5-6,15-17H2.
What are the key properties of 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone?
2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 396.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110236867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).