8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione

C16H27N3O2 — CID 63630601

IUPAC8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione
SMILESNCCN1CCC(N2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C16H27N3O2/c17-7-10-18-8-3-13(4-9-18)19-14(20)11-16(12-15(19)21)5-1-2-6-16/h13H,1-12,17H2
InChIKeyLFHXPOFBXVTFBQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.12
Rot. Bonds3

About 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione

8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 63630601) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID63630601
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione
SMILESNCCN1CCC(N2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C16H27N3O2/c17-7-10-18-8-3-13(4-9-18)19-14(20)11-16(12-15(19)21)5-1-2-6-16/h13H,1-12,17H2
InChIKeyLFHXPOFBXVTFBQ-UHFFFAOYSA-N
XLogP1.12
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 24719270
(3S)-3-(8-azaspiro[4.5]decan-8-yl)piperidin-2-one
CID 164640347
8-Azaspiro[4.5]decane-7,9-dione, 8-(4-aminobutyl)-
CID 11746691
8-[4-(Piperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 12790496
8-(4-Piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
CID 12790497
8-[4-(3-Methyl-1-piperazinyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 12790499
8-[4-(2-Methyl-1-piperazinyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 12790502
8-(4-Piperidinyl)-8-azaspiro[4,5]decan-7,9-dione
CID 12822553
3-(4-Piperidinyl)-3-azaspiro-[5,5]-undecan-2,4-dione
CID 12822555
N-(4-aminobutyl)-8-azaspiro[4.5]decane 7,9-dione hydrochloride
CID 19019753
8-(2-Aminoethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 19433571
8-(3-Piperidinyl)-8-azaspiro[4,5]decan-7,9-dione
CID 20556261

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione (CID 63630601) is 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione is NCCN1CCC(N2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is LFHXPOFBXVTFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c17-7-10-18-8-3-13(4-9-18)19-14(20)11-16(12-15(19)21)5-1-2-6-16/h13H,1-12,17H2.
What are the key properties of 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione?
8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 293.41 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-aminoethyl)piperidin-4-yl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 63630601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).