N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

C22H30N4O3 — CID 86265899

IUPACN-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C22H30N4O3/c1-2-3-13-28-19-10-8-18(9-11-19)23-22(27)26-12-4-5-16(15-26)14-20-24-21(25-29-20)17-6-7-17/h8-11,16-17H,2-7,12-15H2,1H3,(H,23,27)
InChIKeyAOSHDLDNTOOTAJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.61
Rot. Bonds8

About N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 86265899) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID86265899
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C22H30N4O3/c1-2-3-13-28-19-10-8-18(9-11-19)23-22(27)26-12-4-5-16(15-26)14-20-24-21(25-29-20)17-6-7-17/h8-11,16-17H,2-7,12-15H2,1H3,(H,23,27)
InChIKeyAOSHDLDNTOOTAJ-UHFFFAOYSA-N
XLogP4.61
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641715
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 86265895
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 86265842
N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 91918981
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 90641486
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 138028277
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 86265900
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 90641714
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (CID 86265899) is N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is CCCCOc1ccc(NC(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is AOSHDLDNTOOTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-2-3-13-28-19-10-8-18(9-11-19)23-22(27)26-12-4-5-16(15-26)14-20-24-21(25-29-20)17-6-7-17/h8-11,16-17H,2-7,12-15H2,1H3,(H,23,27).
What are the key properties of N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 86265899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).