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

C25H26ClN5O3 — CID 43933525

IUPAC1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C25H26ClN5O3/c26-19-7-5-17(6-8-19)24-28-22(34-29-24)16-30-13-1-3-18(15-30)25(33)27-20-9-11-21(12-10-20)31-14-2-4-23(31)32/h5-12,18H,1-4,13-16H2,(H,27,33)
InChIKeyVBHAPYYHRRJRJD-UHFFFAOYSA-N
MW479.97 g/mol
LogP4.37
Rot. Bonds6

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

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 43933525) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID43933525
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C25H26ClN5O3/c26-19-7-5-17(6-8-19)24-28-22(34-29-24)16-30-13-1-3-18(15-30)25(33)27-20-9-11-21(12-10-20)31-14-2-4-23(31)32/h5-12,18H,1-4,13-16H2,(H,27,33)
InChIKeyVBHAPYYHRRJRJD-UHFFFAOYSA-N
XLogP4.37
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43932254
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-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43933379
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43933299
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43933246
N-(4-butylphenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933384
ethyl 4-[[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43933247
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43934880
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43932300
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933308
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43933565
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (CID 43933525) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is VBHAPYYHRRJRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c26-19-7-5-17(6-8-19)24-28-22(34-29-24)16-30-13-1-3-18(15-30)25(33)27-20-9-11-21(12-10-20)31-14-2-4-23(31)32/h5-12,18H,1-4,13-16H2,(H,27,33).
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43933525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).