1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C26H27N3O2 — CID 42533025

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C26H27N3O2/c30-26(28-22-7-9-24(10-8-22)31-25-6-3-13-27-18-25)19-11-14-29(15-12-19)23-16-20-4-1-2-5-21(20)17-23/h1-10,13,18-19,23H,11-12,14-17H2,(H,28,30)
InChIKeyHFYVSWQEZXLIIM-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.69
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 42533025) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID42533025
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C26H27N3O2/c30-26(28-22-7-9-24(10-8-22)31-25-6-3-13-27-18-25)19-11-14-29(15-12-19)23-16-20-4-1-2-5-21(20)17-23/h1-10,13,18-19,23H,11-12,14-17H2,(H,28,30)
InChIKeyHFYVSWQEZXLIIM-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 45226535
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25289271
N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
CID 74251036
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
(2S)-1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42533238
N-(4-pyridin-4-yloxyphenyl)cyclobutanecarboxamide
CID 49363610
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 56742518
3-[(2S)-2-methylpiperidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)azetidine-1-carboxamide
CID 97434495
tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 166195885
(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42522707
N-(4-pyridin-2-yloxyphenyl)cyclopentanecarboxamide
CID 154837427

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 42533025) is 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is HFYVSWQEZXLIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26(28-22-7-9-24(10-8-22)31-25-6-3-13-27-18-25)19-11-14-29(15-12-19)23-16-20-4-1-2-5-21(20)17-23/h1-10,13,18-19,23H,11-12,14-17H2,(H,28,30).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 42533025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).