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

C27H31N5O4 — CID 43931074

IUPAC1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)NCc4cccc(N5CCCC5=O)c4)C3)n2)cc1
InChIInChI=1S/C27H31N5O4/c1-35-23-11-9-20(10-12-23)26-29-24(36-30-26)18-31-13-3-6-21(17-31)27(34)28-16-19-5-2-7-22(15-19)32-14-4-8-25(32)33/h2,5,7,9-12,15,21H,3-4,6,8,13-14,16-18H2,1H3,(H,28,34)
InChIKeyALLUCLPLQCQIAH-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.40
Rot. Bonds8

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

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43931074) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID43931074
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)NCc4cccc(N5CCCC5=O)c4)C3)n2)cc1
InChIInChI=1S/C27H31N5O4/c1-35-23-11-9-20(10-12-23)26-29-24(36-30-26)18-31-13-3-6-21(17-31)27(34)28-16-19-5-2-7-22(15-19)32-14-4-8-25(32)33/h2,5,7,9-12,15,21H,3-4,6,8,13-14,16-18H2,1H3,(H,28,34)
InChIKeyALLUCLPLQCQIAH-UHFFFAOYSA-N
XLogP3.40
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931015
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930987
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 38141104
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929380
(3R)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 26772872
N-[(4-ethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930994
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 43931328
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930960
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43930585
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930815
1-[(2-chlorophenyl)methyl]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 132672164
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43931904

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide (CID 43931074) is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide is COc1ccc(-c2noc(CN3CCCC(C(=O)NCc4cccc(N5CCCC5=O)c4)C3)n2)cc1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ALLUCLPLQCQIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-35-23-11-9-20(10-12-23)26-29-24(36-30-26)18-31-13-3-6-21(17-31)27(34)28-16-19-5-2-7-22(15-19)32-14-4-8-25(32)33/h2,5,7,9-12,15,21H,3-4,6,8,13-14,16-18H2,1H3,(H,28,34).
What are the key properties of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43931074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).