2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone

C17H31N3O — CID 114818797

IUPAC2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCC2(CCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-19(14-16(21)20-12-10-18-11-13-20)15-4-8-17(9-5-15)6-2-3-7-17/h15,18H,2-14H2,1H3
InChIKeyVOVLCIRDWBPQLM-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.85
Rot. Bonds3

About 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone

2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 114818797) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
PubChem CID114818797
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCC2(CCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-19(14-16(21)20-12-10-18-11-13-20)15-4-8-17(9-5-15)6-2-3-7-17/h15,18H,2-14H2,1H3
InChIKeyVOVLCIRDWBPQLM-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone (CID 114818797) is 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)C1CCC2(CCCC2)CC1.
What is the InChIKey of 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is VOVLCIRDWBPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-19(14-16(21)20-12-10-18-11-13-20)15-4-8-17(9-5-15)6-2-3-7-17/h15,18H,2-14H2,1H3.
What are the key properties of 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 293.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 114818797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).