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

C23H31ClN4O3 — CID 38154641

IUPAC1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCOC1CCCC1)C1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1
InChIInChI=1S/C23H31ClN4O3/c24-20-9-4-3-8-19(20)22-26-21(31-27-22)16-28-13-10-17(11-14-28)23(29)25-12-5-15-30-18-6-1-2-7-18/h3-4,8-9,17-18H,1-2,5-7,10-16H2,(H,25,29)
InChIKeyXPOLHPRVUYUDDL-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.07
Rot. Bonds9

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

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide (PubChem CID 38154641) has the molecular formula C23H31ClN4O3 and a molecular weight of 446.98 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide
PubChem CID38154641
Molecular FormulaC23H31ClN4O3
Molecular Weight446.98 g/mol
Exact Mass446.21
IUPAC Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCOC1CCCC1)C1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1
InChIInChI=1S/C23H31ClN4O3/c24-20-9-4-3-8-19(20)22-26-21(31-27-22)16-28-13-10-17(11-14-28)23(29)25-12-5-15-30-18-6-1-2-7-18/h3-4,8-9,17-18H,1-2,5-7,10-16H2,(H,25,29)
InChIKeyXPOLHPRVUYUDDL-UHFFFAOYSA-N
XLogP4.07
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.07
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-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 43927924
N-(3-benzylsulfanylpropyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38154600
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38154883
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]piperidine-4-carboxamide
CID 38154612
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 43933885
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-3-carboxamide
CID 43933796
N-butyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38132566
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541544
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 43933910
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 38154709
N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930217
N-[2-(butylcarbamoyl)phenyl]-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38153961

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide (CID 38154641) is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide is O=C(NCCCOC1CCCC1)C1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide?
The InChIKey is XPOLHPRVUYUDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O3/c24-20-9-4-3-8-19(20)22-26-21(31-27-22)16-28-13-10-17(11-14-28)23(29)25-12-5-15-30-18-6-1-2-7-18/h3-4,8-9,17-18H,1-2,5-7,10-16H2,(H,25,29).
What are the key properties of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide?
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide has a molecular weight of 446.98 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 38154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).