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

C23H23ClN4O4 — CID 55395534

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(c1ccco1)N1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)CC1
InChIInChI=1S/C23H23ClN4O4/c24-17-5-3-15(4-6-17)21-26-25-20(32-21)14-28(18-7-8-18)22(29)16-9-11-27(12-10-16)23(30)19-2-1-13-31-19/h1-6,13,16,18H,7-12,14H2
InChIKeyPOJNWOCQDUWAFW-UHFFFAOYSA-N
MW454.91 g/mol
LogP4.03
Rot. Bonds6

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

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55395534) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID55395534
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(c1ccco1)N1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)CC1
InChIInChI=1S/C23H23ClN4O4/c24-17-5-3-15(4-6-17)21-26-25-20(32-21)14-28(18-7-8-18)22(29)16-9-11-27(12-10-16)23(30)19-2-1-13-31-19/h1-6,13,16,18H,7-12,14H2
InChIKeyPOJNWOCQDUWAFW-UHFFFAOYSA-N
XLogP4.03
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 17442700
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
CID 55394988
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622566
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenylsulfanylacetamide
CID 51147007
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 35345708
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 75372969
N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 33354399
methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate
CID 55802914
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-4-carboxamide
CID 17400992
(3R)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 25497951
1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55757697

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 55395534) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(c1ccco1)N1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)CC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is POJNWOCQDUWAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c24-17-5-3-15(4-6-17)21-26-25-20(32-21)14-28(18-7-8-18)22(29)16-9-11-27(12-10-16)23(30)19-2-1-13-31-19/h1-6,13,16,18H,7-12,14H2.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55395534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).