1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C22H25N3O3 — CID 55808623

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H25N3O3/c26-21(15-28-19-8-7-16-4-3-5-18(16)14-19)25-12-9-17(10-13-25)22(27)24-20-6-1-2-11-23-20/h1-2,6-8,11,14,17H,3-5,9-10,12-13,15H2,(H,23,24,27)
InChIKeyMJYMPMIKFBQOPK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55808623) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55808623
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H25N3O3/c26-21(15-28-19-8-7-16-4-3-5-18(16)14-19)25-12-9-17(10-13-25)22(27)24-20-6-1-2-11-23-20/h1-2,6-8,11,14,17H,3-5,9-10,12-13,15H2,(H,23,24,27)
InChIKeyMJYMPMIKFBQOPK-UHFFFAOYSA-N
XLogP2.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzoylpiperidin-1-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 26079809
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51961905
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 41472626
1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808382
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746603
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390762
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55808623) is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccccn1)C1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is MJYMPMIKFBQOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(15-28-19-8-7-16-4-3-5-18(16)14-19)25-12-9-17(10-13-25)22(27)24-20-6-1-2-11-23-20/h1-2,6-8,11,14,17H,3-5,9-10,12-13,15H2,(H,23,24,27).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55808623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).