(3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C21H26N4O2 — CID 97187138

IUPAC(3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccnn1CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C
InChIInChI=1S/C21H26N4O2/c1-16-8-11-22-25(16)15-19(26)24-12-9-21(10-13-24)14-18(20(27)23(21)2)17-6-4-3-5-7-17/h3-8,11,18H,9-10,12-15H2,1-2H3/t18-/m1/s1
InChIKeyJTBVQKVQPXLRIR-GOSISDBHSA-N
MW366.47 g/mol
LogP2.20
Rot. Bonds3

About (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97187138) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97187138
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccnn1CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C
InChIInChI=1S/C21H26N4O2/c1-16-8-11-22-25(16)15-19(26)24-12-9-21(10-13-24)14-18(20(27)23(21)2)17-6-4-3-5-7-17/h3-8,11,18H,9-10,12-15H2,1-2H3/t18-/m1/s1
InChIKeyJTBVQKVQPXLRIR-GOSISDBHSA-N
XLogP2.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97187138) is (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccnn1CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C.
What is the InChIKey of (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JTBVQKVQPXLRIR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-8-11-22-25(16)15-19(26)24-12-9-21(10-13-24)14-18(20(27)23(21)2)17-6-4-3-5-7-17/h3-8,11,18H,9-10,12-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97187138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).