1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C20H24N4O2 — CID 97493911

IUPAC1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H24N4O2/c1-22-15-17(13-21-22)19(26)23-11-9-20(10-12-23)8-7-18(25)24(20)14-16-5-3-2-4-6-16/h2-6,13,15H,7-12,14H2,1H3
InChIKeyPBBHANUGTTUWEI-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.22
Rot. Bonds3

About 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493911) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493911
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H24N4O2/c1-22-15-17(13-21-22)19(26)23-11-9-20(10-12-23)8-7-18(25)24(20)14-16-5-3-2-4-6-16/h2-6,13,15H,7-12,14H2,1H3
InChIKeyPBBHANUGTTUWEI-UHFFFAOYSA-N
XLogP2.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493786
8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493756
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832
1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493701
8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
(4-benzylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041784

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493911) is 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cn1cc(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cn1.
What is the InChIKey of 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PBBHANUGTTUWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22-15-17(13-21-22)19(26)23-11-9-20(10-12-23)8-7-18(25)24(20)14-16-5-3-2-4-6-16/h2-6,13,15H,7-12,14H2,1H3.
What are the key properties of 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).