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

C22H23N5O2 — CID 45273380

IUPACN-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
InChIKeyBLVRDPUKIXDEBG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.58
Rot. Bonds4

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

N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 45273380) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID45273380
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
InChIKeyBLVRDPUKIXDEBG-UHFFFAOYSA-N
XLogP3.58
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.58
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-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 45273380) is N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is BLVRDPUKIXDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28).
What are the key properties of N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-phenylcyclopropyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.58, 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-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 45273380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).