N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C22H25N5O2 — CID 44628618

IUPACN-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C22H25N5O2/c28-22(23-17-6-2-3-7-17)27-13-11-16(12-14-27)21-25-20(26-29-21)19-10-9-15-5-1-4-8-18(15)24-19/h1,4-5,8-10,16-17H,2-3,6-7,11-14H2,(H,23,28)
InChIKeyDRZYGIHXBPLWLU-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.12
Rot. Bonds3

About N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 44628618) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID44628618
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C22H25N5O2/c28-22(23-17-6-2-3-7-17)27-13-11-16(12-14-27)21-25-20(26-29-21)19-10-9-15-5-1-4-8-18(15)24-19/h1,4-5,8-10,16-17H,2-3,6-7,11-14H2,(H,23,28)
InChIKeyDRZYGIHXBPLWLU-UHFFFAOYSA-N
XLogP4.12
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 44628618) is N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is DRZYGIHXBPLWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22(23-17-6-2-3-7-17)27-13-11-16(12-14-27)21-25-20(26-29-21)19-10-9-15-5-1-4-8-18(15)24-19/h1,4-5,8-10,16-17H,2-3,6-7,11-14H2,(H,23,28).
What are the key properties of N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 44628618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).