8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

C20H26N4O2 — CID 118745240

IUPAC8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CCC3(CC2)NC(=O)CC3c2cnn(C)c2)cc1
InChIInChI=1S/C20H26N4O2/c1-23-14-16(12-21-23)18-11-19(25)22-20(18)7-9-24(10-8-20)13-15-3-5-17(26-2)6-4-15/h3-6,12,14,18H,7-11,13H2,1-2H3,(H,22,25)
InChIKeyYMJJHWZDPLUSKG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.07
Rot. Bonds4

About 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one

8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118745240) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118745240
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CCC3(CC2)NC(=O)CC3c2cnn(C)c2)cc1
InChIInChI=1S/C20H26N4O2/c1-23-14-16(12-21-23)18-11-19(25)22-20(18)7-9-24(10-8-20)13-15-3-5-17(26-2)6-4-15/h3-6,12,14,18H,7-11,13H2,1-2H3,(H,22,25)
InChIKeyYMJJHWZDPLUSKG-UHFFFAOYSA-N
XLogP2.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 118745240) is 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CCC3(CC2)NC(=O)CC3c2cnn(C)c2)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YMJJHWZDPLUSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-14-16(12-21-23)18-11-19(25)22-20(18)7-9-24(10-8-20)13-15-3-5-17(26-2)6-4-15/h3-6,12,14,18H,7-11,13H2,1-2H3,(H,22,25).
What are the key properties of 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one?
8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118745240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).