1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C18H25N5O4 — CID 109345888

IUPAC1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(=O)N3CCC4(CC3)OCCO4)ncn2)CC1
InChIInChI=1S/C18H25N5O4/c1-14(24)21-6-8-22(9-7-21)16-12-15(19-13-20-16)17(25)23-4-2-18(3-5-23)26-10-11-27-18/h12-13H,2-11H2,1H3
InChIKeyRXPRHVKCPANBMH-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.12
Rot. Bonds2

About 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 109345888) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID109345888
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(=O)N3CCC4(CC3)OCCO4)ncn2)CC1
InChIInChI=1S/C18H25N5O4/c1-14(24)21-6-8-22(9-7-21)16-12-15(19-13-20-16)17(25)23-4-2-18(3-5-23)26-10-11-27-18/h12-13H,2-11H2,1H3
InChIKeyRXPRHVKCPANBMH-UHFFFAOYSA-N
XLogP0.12
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 109187377
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109352486
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340435
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365378
[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109340625
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
6-(4-acetylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340398
N-(3-chloro-4-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352530

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 109345888) is 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C(=O)N3CCC4(CC3)OCCO4)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is RXPRHVKCPANBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-14(24)21-6-8-22(9-7-21)16-12-15(19-13-20-16)17(25)23-4-2-18(3-5-23)26-10-11-27-18/h12-13H,2-11H2,1H3.
What are the key properties of 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 375.43 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109345888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).