(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide

C24H28N6O2 — CID 95101176

IUPAC(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1cccnc1
InChIInChI=1S/C24H28N6O2/c1-16(18-8-3-11-25-14-18)27-23(31)19-9-5-13-30(15-19)22-20(10-4-12-26-22)21-28-24(32-29-21)17-6-2-7-17/h3-4,8,10-12,14,16-17,19H,2,5-7,9,13,15H2,1H3,(H,27,31)/t16-,19-/m1/s1
InChIKeyQMTGGWRONMFVGN-VQIMIIECSA-N
MW432.53 g/mol
LogP3.89
Rot. Bonds6

About (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide

(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide (PubChem CID 95101176) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
PubChem CID95101176
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1cccnc1
InChIInChI=1S/C24H28N6O2/c1-16(18-8-3-11-25-14-18)27-23(31)19-9-5-13-30(15-19)22-20(10-4-12-26-22)21-28-24(32-29-21)17-6-2-7-17/h3-4,8,10-12,14,16-17,19H,2,5-7,9,13,15H2,1H3,(H,27,31)/t16-,19-/m1/s1
InChIKeyQMTGGWRONMFVGN-VQIMIIECSA-N
XLogP3.89
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95101129
[(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 95101116
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 95101110
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95101144
1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53166229
1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 53166201
(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 95101094
azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 53166187
N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166154
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 71839313
N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 93071770
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide (CID 95101176) is (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1cccnc1.
What is the InChIKey of (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide?
The InChIKey is QMTGGWRONMFVGN-VQIMIIECSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16(18-8-3-11-25-14-18)27-23(31)19-9-5-13-30(15-19)22-20(10-4-12-26-22)21-28-24(32-29-21)17-6-2-7-17/h3-4,8,10-12,14,16-17,19H,2,5-7,9,13,15H2,1H3,(H,27,31)/t16-,19-/m1/s1.
What are the key properties of (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide?
(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95101176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).