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

C27H34N4O4 — CID 43930981

IUPACN-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1CCCNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1
InChIInChI=1S/C27H34N4O4/c1-3-34-24-11-5-4-8-20(24)9-6-16-28-27(32)22-10-7-17-31(18-22)19-25-29-26(30-35-25)21-12-14-23(33-2)15-13-21/h4-5,8,11-15,22H,3,6-7,9-10,16-19H2,1-2H3,(H,28,32)
InChIKeyUQPRMDFKGLSUTN-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.10
Rot. Bonds11

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

N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43930981) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43930981
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1CCCNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1
InChIInChI=1S/C27H34N4O4/c1-3-34-24-11-5-4-8-20(24)9-6-16-28-27(32)22-10-7-17-31(18-22)19-25-29-26(30-35-25)21-12-14-23(33-2)15-13-21/h4-5,8,11-15,22H,3,6-7,9-10,16-19H2,1-2H3,(H,28,32)
InChIKeyUQPRMDFKGLSUTN-UHFFFAOYSA-N
XLogP4.10
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930545
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43933081
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-propoxyphenyl)propyl]piperidine-3-carboxamide
CID 43932708
N-[(4-ethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930994
N-[3-(3-methoxyphenyl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929273
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43930780
N-[(3-ethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931015
N-[3-(2-propoxyphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935248
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 38147808
N-(2,6-diethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930862
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 43930797
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930977

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43930981) is N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is CCOc1ccccc1CCCNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1.
What is the InChIKey of N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is UQPRMDFKGLSUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-3-34-24-11-5-4-8-20(24)9-6-16-28-27(32)22-10-7-17-31(18-22)19-25-29-26(30-35-25)21-12-14-23(33-2)15-13-21/h4-5,8,11-15,22H,3,6-7,9-10,16-19H2,1-2H3,(H,28,32).
What are the key properties of N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43930981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).