3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

C24H35N5O2 — CID 50827807

IUPAC3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(C(=O)NCCCN4CCCC(C)C4)n3)cc2)CC1
InChIInChI=1S/C24H35N5O2/c1-18-10-15-29(16-11-18)21-8-6-20(7-9-21)22-26-24(31-27-22)23(30)25-12-4-14-28-13-3-5-19(2)17-28/h6-9,18-19H,3-5,10-17H2,1-2H3,(H,25,30)
InChIKeyGONMMYBNDHNRSH-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.82
Rot. Bonds7

About 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50827807) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID50827807
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(C(=O)NCCCN4CCCC(C)C4)n3)cc2)CC1
InChIInChI=1S/C24H35N5O2/c1-18-10-15-29(16-11-18)21-8-6-20(7-9-21)22-26-24(31-27-22)23(30)25-12-4-14-28-13-3-5-19(2)17-28/h6-9,18-19H,3-5,10-17H2,1-2H3,(H,25,30)
InChIKeyGONMMYBNDHNRSH-UHFFFAOYSA-N
XLogP3.82
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 50776469
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827958
N-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827829
N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827954
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828059
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98471979
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
N-[(4-ethoxyphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827871
3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 50836496
N-[(2-ethoxyphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827806

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide (CID 50827807) is 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCN(c2ccc(-c3noc(C(=O)NCCCN4CCCC(C)C4)n3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GONMMYBNDHNRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-18-10-15-29(16-11-18)21-8-6-20(7-9-21)22-26-24(31-27-22)23(30)25-12-4-14-28-13-3-5-19(2)17-28/h6-9,18-19H,3-5,10-17H2,1-2H3,(H,25,30).
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide?
3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)phenyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50827807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).