1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide

C22H31ClN4O2 — CID 43933287

IUPAC1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1)C(C)C
InChIInChI=1S/C22H31ClN4O2/c1-14(2)20(15(3)4)25-22(28)17-6-5-11-27(12-17)13-19-24-21(26-29-19)16-7-9-18(23)10-8-16/h7-10,14-15,17,20H,5-6,11-13H2,1-4H3,(H,25,28)
InChIKeyLKTSUIJGICOZGZ-UHFFFAOYSA-N
MW418.97 g/mol
LogP4.40
Rot. Bonds7

About 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide (PubChem CID 43933287) has the molecular formula C22H31ClN4O2 and a molecular weight of 418.97 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
PubChem CID43933287
Molecular FormulaC22H31ClN4O2
Molecular Weight418.97 g/mol
Exact Mass418.21
IUPAC Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1)C(C)C
InChIInChI=1S/C22H31ClN4O2/c1-14(2)20(15(3)4)25-22(28)17-6-5-11-27(12-17)13-19-24-21(26-29-19)16-7-9-18(23)10-8-16/h7-10,14-15,17,20H,5-6,11-13H2,1-4H3,(H,25,28)
InChIKeyLKTSUIJGICOZGZ-UHFFFAOYSA-N
XLogP4.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 43933582
N-(5-chloro-2-methylphenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933294
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-3-carboxamide
CID 43933201
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 43933262
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43934372
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 43931523
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43933379
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 43934339
ethyl 4-[[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43933247
N-(4-butylphenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933384
[(3S)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 41305841

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide (CID 43933287) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide is CC(C)C(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1)C(C)C.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The InChIKey is LKTSUIJGICOZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O2/c1-14(2)20(15(3)4)25-22(28)17-6-5-11-27(12-17)13-19-24-21(26-29-19)16-7-9-18(23)10-8-16/h7-10,14-15,17,20H,5-6,11-13H2,1-4H3,(H,25,28).
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide has a molecular weight of 418.97 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43933287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).