N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C19H31N5O — CID 135097523

IUPACN-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCc1cc(NC2COC3(CCNCC3)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H31N5O/c1-2-15-12-17(23-18(22-15)24-10-4-3-5-11-24)21-16-13-19(25-14-16)6-8-20-9-7-19/h12,16,20H,2-11,13-14H2,1H3,(H,21,22,23)
InChIKeyDQVRXGSUEKYOIJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.35
Rot. Bonds4

About N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 135097523) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID135097523
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCc1cc(NC2COC3(CCNCC3)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H31N5O/c1-2-15-12-17(23-18(22-15)24-10-4-3-5-11-24)21-16-13-19(25-14-16)6-8-20-9-7-19/h12,16,20H,2-11,13-14H2,1H3,(H,21,22,23)
InChIKeyDQVRXGSUEKYOIJ-UHFFFAOYSA-N
XLogP2.35
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 135097523) is N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CCc1cc(NC2COC3(CCNCC3)C2)nc(N2CCCCC2)n1.
What is the InChIKey of N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is DQVRXGSUEKYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-15-12-17(23-18(22-15)24-10-4-3-5-11-24)21-16-13-19(25-14-16)6-8-20-9-7-19/h12,16,20H,2-11,13-14H2,1H3,(H,21,22,23).
What are the key properties of N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 345.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 135097523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).