(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride

C25H39ClN4O2 — CID 170355224

IUPAC(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCCCCCCCCc1ccc(-c2noc(CNC(=O)[C@@H]3CCCNC3)n2)cc1.Cl
InChIInChI=1S/C25H38N4O2.ClH/c1-2-3-4-5-6-7-8-9-11-20-13-15-21(16-14-20)24-28-23(31-29-24)19-27-25(30)22-12-10-17-26-18-22;/h13-16,22,26H,2-12,17-19H2,1H3,(H,27,30);1H/t22-;/m1./s1
InChIKeyHWXVTIUYPBPPBW-VZYDHVRKSA-N
MW463.07 g/mol
LogP5.46
Rot. Bonds13

About (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride

(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 170355224) has the molecular formula C25H39ClN4O2 and a molecular weight of 463.07 g/mol. Its IUPAC name is (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID170355224
Molecular FormulaC25H39ClN4O2
Molecular Weight463.07 g/mol
Exact Mass462.28
IUPAC Name(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCCCCCCCCc1ccc(-c2noc(CNC(=O)[C@@H]3CCCNC3)n2)cc1.Cl
InChIInChI=1S/C25H38N4O2.ClH/c1-2-3-4-5-6-7-8-9-11-20-13-15-21(16-14-20)24-28-23(31-29-24)19-27-25(30)22-12-10-17-26-18-22;/h13-16,22,26H,2-12,17-19H2,1H3,(H,27,30);1H/t22-;/m1./s1
InChIKeyHWXVTIUYPBPPBW-VZYDHVRKSA-N
XLogP5.46
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.07
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azepane-2-carboxamide;hydrochloride
CID 170355364
N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 119840708
(2S,3S)-N-[[3-(4-heptylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypyrrolidine-2-carboxamide
CID 45256740
N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 170355306
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 170355390
(2S,4R)-2-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 170355370
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypropanamide
CID 170355360
5-[(3R)-pyrrolidin-3-yl]-3-(4-undecylphenyl)-1,2,4-oxadiazole
CID 154661001
3-(4-decylphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 155012950
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 119317591
5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole
CID 165054074
[(2S)-1-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 170355423

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride (CID 170355224) is (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride is CCCCCCCCCCc1ccc(-c2noc(CNC(=O)[C@@H]3CCCNC3)n2)cc1.Cl.
What is the InChIKey of (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is HWXVTIUYPBPPBW-VZYDHVRKSA-N. The full InChI is InChI=1S/C25H38N4O2.ClH/c1-2-3-4-5-6-7-8-9-11-20-13-15-21(16-14-20)24-28-23(31-29-24)19-27-25(30)22-12-10-17-26-18-22;/h13-16,22,26H,2-12,17-19H2,1H3,(H,27,30);1H/t22-;/m1./s1.
What are the key properties of (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 463.07 g/mol, XLogP of 5.46, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 170355224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).