1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone

C24H30N4O4 — CID 90519441

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)ncn2)cc1
InChIInChI=1S/C24H30N4O4/c1-30-20-4-2-18(3-5-20)21-16-22(26-17-25-21)27-10-6-19(7-11-27)23(29)28-12-8-24(9-13-28)31-14-15-32-24/h2-5,16-17,19H,6-15H2,1H3
InChIKeyDWNRPTGABBVSQX-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.73
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone (PubChem CID 90519441) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone
PubChem CID90519441
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)ncn2)cc1
InChIInChI=1S/C24H30N4O4/c1-30-20-4-2-18(3-5-20)21-16-22(26-17-25-21)27-10-6-19(7-11-27)23(29)28-12-8-24(9-13-28)31-14-15-32-24/h2-5,16-17,19H,6-15H2,1H3
InChIKeyDWNRPTGABBVSQX-UHFFFAOYSA-N
XLogP2.73
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone (CID 90519441) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone is COc1ccc(-c2cc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)ncn2)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone?
The InChIKey is DWNRPTGABBVSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-30-20-4-2-18(3-5-20)21-16-22(26-17-25-21)27-10-6-19(7-11-27)23(29)28-12-8-24(9-13-28)31-14-15-32-24/h2-5,16-17,19H,6-15H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone has a molecular weight of 438.53 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 90519441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).