2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C21H30N4O2 — CID 70746596

IUPAC2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCN(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)CC1
InChIInChI=1S/C21H30N4O2/c1-22-11-13-24(14-12-22)20(27)23-9-7-21(8-10-23)15-19(26)25(17-21)16-18-5-3-2-4-6-18/h2-6H,7-17H2,1H3
InChIKeySYCCNGIKUAMBOJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.87
Rot. Bonds2

About 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70746596) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70746596
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCN(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)CC1
InChIInChI=1S/C21H30N4O2/c1-22-11-13-24(14-12-22)20(27)23-9-7-21(8-10-23)15-19(26)25(17-21)16-18-5-3-2-4-6-18/h2-6H,7-17H2,1H3
InChIKeySYCCNGIKUAMBOJ-UHFFFAOYSA-N
XLogP1.87
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72937261
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899933
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
2-benzyl-8-[3-(1-methylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72847524
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72838673
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556
2-benzyl-8-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97277141
2-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70740477
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70746596) is 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CN1CCN(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)CC1.
What is the InChIKey of 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SYCCNGIKUAMBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-22-11-13-24(14-12-22)20(27)23-9-7-21(8-10-23)15-19(26)25(17-21)16-18-5-3-2-4-6-18/h2-6H,7-17H2,1H3.
What are the key properties of 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 370.50 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70746596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).