1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C22H32N4O3 — CID 56509650

IUPAC1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(Cc2nnc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C22H32N4O3/c1-17(2)28-14-6-11-23-22(27)19-9-12-26(13-10-19)16-21-25-24-20(29-21)15-18-7-4-3-5-8-18/h3-5,7-8,17,19H,6,9-16H2,1-2H3,(H,23,27)
InChIKeyNSMKLFVVGZSQTE-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.80
Rot. Bonds10

About 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 56509650) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID56509650
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(Cc2nnc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C22H32N4O3/c1-17(2)28-14-6-11-23-22(27)19-9-12-26(13-10-19)16-21-25-24-20(29-21)15-18-7-4-3-5-8-18/h3-5,7-8,17,19H,6,9-16H2,1-2H3,(H,23,27)
InChIKeyNSMKLFVVGZSQTE-UHFFFAOYSA-N
XLogP2.80
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.80
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

1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-[(2S)-2-amino-3-phenylpropanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119287834
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 169317104
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56510035
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 87014166
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
ethyl 2-oxo-4-phenyl-6-[[4-(3-propan-2-yloxypropylcarbamoyl)piperidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55739469
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720641

Frequently Asked Questions

What is the IUPAC name of 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 56509650) is 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(Cc2nnc(Cc3ccccc3)o2)CC1.
What is the InChIKey of 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is NSMKLFVVGZSQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-17(2)28-14-6-11-23-22(27)19-9-12-26(13-10-19)16-21-25-24-20(29-21)15-18-7-4-3-5-8-18/h3-5,7-8,17,19H,6,9-16H2,1-2H3,(H,23,27).
What are the key properties of 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 56509650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).