N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide

C18H27N5O3 — CID 126435358

IUPACN-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC1
InChIInChI=1S/C18H27N5O3/c1-12(24)19-14-2-5-22(6-3-14)17-8-16(13-4-7-26-11-13)20-18(21-17)23-9-15(25)10-23/h8,13-15,25H,2-7,9-11H2,1H3,(H,19,24)/t13-/m0/s1
InChIKeyUYNFTOYAKIYCMF-ZDUSSCGKSA-N
MW361.45 g/mol
LogP0.27
Rot. Bonds4

About N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide

N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 126435358) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID126435358
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC1
InChIInChI=1S/C18H27N5O3/c1-12(24)19-14-2-5-22(6-3-14)17-8-16(13-4-7-26-11-13)20-18(21-17)23-9-15(25)10-23/h8,13-15,25H,2-7,9-11H2,1H3,(H,19,24)/t13-/m0/s1
InChIKeyUYNFTOYAKIYCMF-ZDUSSCGKSA-N
XLogP0.27
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 126435358) is N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC1.
What is the InChIKey of N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is UYNFTOYAKIYCMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-12(24)19-14-2-5-22(6-3-14)17-8-16(13-4-7-26-11-13)20-18(21-17)23-9-15(25)10-23/h8,13-15,25H,2-7,9-11H2,1H3,(H,19,24)/t13-/m0/s1.
What are the key properties of N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 126435358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).