2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione

C19H25N5O3 — CID 171844161

IUPAC2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione
SMILESO=C1CCCC2(CCN(c3ccc(C(=O)N4CCNCC4)cn3)C2)C(=O)N1
InChIInChI=1S/C19H25N5O3/c25-16-2-1-5-19(18(27)22-16)6-9-24(13-19)15-4-3-14(12-21-15)17(26)23-10-7-20-8-11-23/h3-4,12,20H,1-2,5-11,13H2,(H,22,25,27)
InChIKeyGUOMUQYVNMUKLU-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.15
Rot. Bonds2

About 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione

2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione (PubChem CID 171844161) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione.

Molecular Properties

Compound Name2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione
PubChem CID171844161
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione
SMILESO=C1CCCC2(CCN(c3ccc(C(=O)N4CCNCC4)cn3)C2)C(=O)N1
InChIInChI=1S/C19H25N5O3/c25-16-2-1-5-19(18(27)22-16)6-9-24(13-19)15-4-3-14(12-21-15)17(26)23-10-7-20-8-11-23/h3-4,12,20H,1-2,5-11,13H2,(H,22,25,27)
InChIKeyGUOMUQYVNMUKLU-UHFFFAOYSA-N
XLogP0.15
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione with MolForge

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Related Compounds

[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone
CID 141316031
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(5S)-2-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97152335
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone
CID 58674992
tert-butyl 2-(6,8-dioxo-2,7-diazaspiro[4.6]undecan-2-yl)-1,3-benzothiazole-6-carboxylate
CID 175638883
2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione
CID 155790127
7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13369863
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
1-[6-(methylamino)pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 62998473

Frequently Asked Questions

What is the IUPAC name of 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione?
The IUPAC name of 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione (CID 171844161) is 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione.
What is the SMILES notation for 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione?
The canonical SMILES for 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione is O=C1CCCC2(CCN(c3ccc(C(=O)N4CCNCC4)cn3)C2)C(=O)N1.
What is the InChIKey of 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione?
The InChIKey is GUOMUQYVNMUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-16-2-1-5-19(18(27)22-16)6-9-24(13-19)15-4-3-14(12-21-15)17(26)23-10-7-20-8-11-23/h3-4,12,20H,1-2,5-11,13H2,(H,22,25,27).
What are the key properties of 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione?
2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione has a molecular weight of 371.44 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione is sourced from PubChem (CID 171844161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).