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

C26H25N5O2 — CID 45271618

IUPACN-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C26H25N5O2/c32-26(28-23-16-20(23)17-6-2-1-3-7-17)31-14-12-19(13-15-31)25-29-24(30-33-25)22-11-10-18-8-4-5-9-21(18)27-22/h1-11,19-20,23H,12-16H2,(H,28,32)
InChIKeyYZQWPJWDFKAQSN-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.73
Rot. Bonds4

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

N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 45271618) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID45271618
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C26H25N5O2/c32-26(28-23-16-20(23)17-6-2-1-3-7-17)31-14-12-19(13-15-31)25-29-24(30-33-25)22-11-10-18-8-4-5-9-21(18)27-22/h1-11,19-20,23H,12-16H2,(H,28,32)
InChIKeyYZQWPJWDFKAQSN-UHFFFAOYSA-N
XLogP4.73
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 45271618) is N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is YZQWPJWDFKAQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-26(28-23-16-20(23)17-6-2-1-3-7-17)31-14-12-19(13-15-31)25-29-24(30-33-25)22-11-10-18-8-4-5-9-21(18)27-22/h1-11,19-20,23H,12-16H2,(H,28,32).
What are the key properties of N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 45271618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).