(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

C24H27N5O3 — CID 92592011

IUPAC(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2nonc2N)C1
InChIInChI=1S/C24H27N5O3/c1-2-26-23(31)24(13-6-14-29(16-24)22(30)20-21(25)28-32-27-20)15-17-9-11-19(12-10-17)18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-16H2,1H3,(H2,25,28)(H,26,31)/t24-/m1/s1
InChIKeyOEYHXNWCHBUWPH-XMMPIXPASA-N
MW433.51 g/mol
LogP2.92
Rot. Bonds6

About (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92592011) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92592011
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2nonc2N)C1
InChIInChI=1S/C24H27N5O3/c1-2-26-23(31)24(13-6-14-29(16-24)22(30)20-21(25)28-32-27-20)15-17-9-11-19(12-10-17)18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-16H2,1H3,(H2,25,28)(H,26,31)/t24-/m1/s1
InChIKeyOEYHXNWCHBUWPH-XMMPIXPASA-N
XLogP2.92
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 92591973
(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92592083
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
(3S)-3-[(4-phenylphenyl)methyl]-1-propanoyl-N-prop-2-enylpiperidine-3-carboxamide
CID 92585106
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate
CID 45244971
(3S)-1-(4-aminobenzoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592401
(3S)-1-(cyclohexanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591906
N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232025
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144967
3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 110232491
(3S)-N-ethyl-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 92591842

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide (CID 92592011) is (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2nonc2N)C1.
What is the InChIKey of (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is OEYHXNWCHBUWPH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N5O3/c1-2-26-23(31)24(13-6-14-29(16-24)22(30)20-21(25)28-32-27-20)15-17-9-11-19(12-10-17)18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-16H2,1H3,(H2,25,28)(H,26,31)/t24-/m1/s1.
What are the key properties of (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92592011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).