1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide

C29H37N5O2 — CID 43929809

IUPAC1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCCC(C(=O)NC(C)c3ccc(N4CCCCC4)cc3)C2)n1
InChIInChI=1S/C29H37N5O2/c1-21-9-4-5-11-26(21)28-31-27(36-32-28)20-33-16-8-10-24(19-33)29(35)30-22(2)23-12-14-25(15-13-23)34-17-6-3-7-18-34/h4-5,9,11-15,22,24H,3,6-8,10,16-20H2,1-2H3,(H,30,35)
InChIKeyBEFVYKXKHNCDJK-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.12
Rot. Bonds7

About 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide

1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 43929809) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID43929809
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCCC(C(=O)NC(C)c3ccc(N4CCCCC4)cc3)C2)n1
InChIInChI=1S/C29H37N5O2/c1-21-9-4-5-11-26(21)28-31-27(36-32-28)20-33-16-8-10-24(19-33)29(35)30-22(2)23-12-14-25(15-13-23)34-17-6-3-7-18-34/h4-5,9,11-15,22,24H,3,6-8,10,16-20H2,1-2H3,(H,30,35)
InChIKeyBEFVYKXKHNCDJK-UHFFFAOYSA-N
XLogP5.12
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43933937
N-[1-(3,4-diethoxyphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929689
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43933936
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43929819
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929760
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43929579
N-[1-(2-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929854
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 43931523
N-(1-phenylethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934912
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 43927957
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43929847

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide (CID 43929809) is 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide is Cc1ccccc1-c1noc(CN2CCCC(C(=O)NC(C)c3ccc(N4CCCCC4)cc3)C2)n1.
What is the InChIKey of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is BEFVYKXKHNCDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-21-9-4-5-11-26(21)28-31-27(36-32-28)20-33-16-8-10-24(19-33)29(35)30-22(2)23-12-14-25(15-13-23)34-17-6-3-7-18-34/h4-5,9,11-15,22,24H,3,6-8,10,16-20H2,1-2H3,(H,30,35).
What are the key properties of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide?
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).