(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone

C17H23N3O — CID 120730942

IUPAC(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone
SMILESO=C(C1CC12CCCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H23N3O/c21-16(14-10-17(14)5-1-2-6-17)20-9-8-19-12-15(20)13-4-3-7-18-11-13/h3-4,7,11,14-15,19H,1-2,5-6,8-10,12H2
InChIKeyZYGYTNNUJQHUOL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.13
Rot. Bonds2

About (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone

(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone (PubChem CID 120730942) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone.

Molecular Properties

Compound Name(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone
PubChem CID120730942
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone
SMILESO=C(C1CC12CCCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H23N3O/c21-16(14-10-17(14)5-1-2-6-17)20-9-8-19-12-15(20)13-4-3-7-18-11-13/h3-4,7,11,14-15,19H,1-2,5-6,8-10,12H2
InChIKeyZYGYTNNUJQHUOL-UHFFFAOYSA-N
XLogP2.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729998
(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride
CID 120730417
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730770
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120732061
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone?
The IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone (CID 120730942) is (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone.
What is the SMILES notation for (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone?
The canonical SMILES for (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone is O=C(C1CC12CCCC2)N1CCNCC1c1cccnc1.
What is the InChIKey of (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone?
The InChIKey is ZYGYTNNUJQHUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-16(14-10-17(14)5-1-2-6-17)20-9-8-19-12-15(20)13-4-3-7-18-11-13/h3-4,7,11,14-15,19H,1-2,5-6,8-10,12H2.
What are the key properties of (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone?
(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone is sourced from PubChem (CID 120730942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).