1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide

C18H24N6O3 — CID 72842603

IUPAC1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)Cc2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C18H24N6O3/c1-22(2)18(26)24-10-4-5-14(11-24)17(25)23(3)12-15-20-16(21-27-15)13-6-8-19-9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyWTTATSMXJFQFJK-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.48
Rot. Bonds4

About 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide

1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 72842603) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID72842603
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)Cc2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C18H24N6O3/c1-22(2)18(26)24-10-4-5-14(11-24)17(25)23(3)12-15-20-16(21-27-15)13-6-8-19-9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyWTTATSMXJFQFJK-UHFFFAOYSA-N
XLogP1.48
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153604
N-[(4-methoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43930943
cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
(3S)-1-(benzenesulfonyl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100663207
1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122566587
N-methyl-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 42424299
N-benzyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43930731
(3R)-N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 95119116
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
N-[(2-methoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930624
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 50945068

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide (CID 72842603) is 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)N(C)Cc2nc(-c3ccncc3)no2)C1.
What is the InChIKey of 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is WTTATSMXJFQFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-22(2)18(26)24-10-4-5-14(11-24)17(25)23(3)12-15-20-16(21-27-15)13-6-8-19-9-7-13/h6-9,14H,4-5,10-12H2,1-3H3.
What are the key properties of 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 72842603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).