N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide

C23H25ClN4O4 — CID 55394988

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H25ClN4O4/c1-2-11-28(15-20-25-26-21(32-20)17-6-3-4-7-18(17)24)22(29)16-9-12-27(13-10-16)23(30)19-8-5-14-31-19/h3-8,14,16H,2,9-13,15H2,1H3
InChIKeyCAQNXPHQUYWMES-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.27
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide (PubChem CID 55394988) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
PubChem CID55394988
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H25ClN4O4/c1-2-11-28(15-20-25-26-21(32-20)17-6-3-4-7-18(17)24)22(29)16-9-12-27(13-10-16)23(30)19-8-5-14-31-19/h3-8,14,16H,2,9-13,15H2,1H3
InChIKeyCAQNXPHQUYWMES-UHFFFAOYSA-N
XLogP4.27
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 26495651
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide
CID 55555696
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55395534
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55361290
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 37375537
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 55555280
2-[(4-chlorophenyl)methylsulfanyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361355
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 110319665
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 78788628

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide (CID 55394988) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is CAQNXPHQUYWMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-2-11-28(15-20-25-26-21(32-20)17-6-3-4-7-18(17)24)22(29)16-9-12-27(13-10-16)23(30)19-8-5-14-31-19/h3-8,14,16H,2,9-13,15H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 456.93 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 55394988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).