2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone

C26H39N7O3 — CID 146070806

IUPAC2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone
SMILESCc1cnn(CC(=O)N2CCC3(CC2)CC(c2nnc(C(C)C)o2)N(CC(=O)N2CCCCC2)C3)c1
InChIInChI=1S/C26H39N7O3/c1-19(2)24-28-29-25(36-24)21-13-26(18-32(21)16-22(34)30-9-5-4-6-10-30)7-11-31(12-8-26)23(35)17-33-15-20(3)14-27-33/h14-15,19,21H,4-13,16-18H2,1-3H3
InChIKeyBESNYORQDAWSSF-UHFFFAOYSA-N
MW497.64 g/mol
LogP2.77
Rot. Bonds6

About 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone

2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone (PubChem CID 146070806) has the molecular formula C26H39N7O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone
PubChem CID146070806
Molecular FormulaC26H39N7O3
Molecular Weight497.64 g/mol
Exact Mass497.31
IUPAC Name2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone
SMILESCc1cnn(CC(=O)N2CCC3(CC2)CC(c2nnc(C(C)C)o2)N(CC(=O)N2CCCCC2)C3)c1
InChIInChI=1S/C26H39N7O3/c1-19(2)24-28-29-25(36-24)21-13-26(18-32(21)16-22(34)30-9-5-4-6-10-30)7-11-31(12-8-26)23(35)17-33-15-20(3)14-27-33/h14-15,19,21H,4-13,16-18H2,1-3H3
InChIKeyBESNYORQDAWSSF-UHFFFAOYSA-N
XLogP2.77
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone (CID 146070806) is 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone is Cc1cnn(CC(=O)N2CCC3(CC2)CC(c2nnc(C(C)C)o2)N(CC(=O)N2CCCCC2)C3)c1.
What is the InChIKey of 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is BESNYORQDAWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7O3/c1-19(2)24-28-29-25(36-24)21-13-26(18-32(21)16-22(34)30-9-5-4-6-10-30)7-11-31(12-8-26)23(35)17-33-15-20(3)14-27-33/h14-15,19,21H,4-13,16-18H2,1-3H3.
What are the key properties of 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone?
2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 497.64 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 146070806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).