[3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

C22H31N5O2 — CID 71844415

IUPAC[3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCCC(Cc2nc(C3CCCCCC3)no2)C1
InChIInChI=1S/C22H31N5O2/c28-22(19-13-18(24-25-19)16-9-10-16)27-11-5-6-15(14-27)12-20-23-21(26-29-20)17-7-3-1-2-4-8-17/h13,15-17H,1-12,14H2,(H,24,25)
InChIKeyZPZPHPAKBYVUCD-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.20
Rot. Bonds5

About [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

[3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (PubChem CID 71844415) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
PubChem CID71844415
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name[3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCCC(Cc2nc(C3CCCCCC3)no2)C1
InChIInChI=1S/C22H31N5O2/c28-22(19-13-18(24-25-19)16-9-10-16)27-11-5-6-15(14-27)12-20-23-21(26-29-20)17-7-3-1-2-4-8-17/h13,15-17H,1-12,14H2,(H,24,25)
InChIKeyZPZPHPAKBYVUCD-UHFFFAOYSA-N
XLogP4.20
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (CID 71844415) is [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCCC(Cc2nc(C3CCCCCC3)no2)C1.
What is the InChIKey of [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The InChIKey is ZPZPHPAKBYVUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c28-22(19-13-18(24-25-19)16-9-10-16)27-11-5-6-15(14-27)12-20-23-21(26-29-20)17-7-3-1-2-4-8-17/h13,15-17H,1-12,14H2,(H,24,25).
What are the key properties of [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
[3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone has a molecular weight of 397.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 71844415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).