3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C18H29N5O2 — CID 45244784

IUPAC3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESNc1ncc(CN2CCC(CCC(=O)NCC3CCCO3)CC2)cn1
InChIInChI=1S/C18H29N5O2/c19-18-21-10-15(11-22-18)13-23-7-5-14(6-8-23)3-4-17(24)20-12-16-2-1-9-25-16/h10-11,14,16H,1-9,12-13H2,(H,20,24)(H2,19,21,22)
InChIKeyQYIAJRKFKMUJBH-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.35
Rot. Bonds7

About 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 45244784) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID45244784
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESNc1ncc(CN2CCC(CCC(=O)NCC3CCCO3)CC2)cn1
InChIInChI=1S/C18H29N5O2/c19-18-21-10-15(11-22-18)13-23-7-5-14(6-8-23)3-4-17(24)20-12-16-2-1-9-25-16/h10-11,14,16H,1-9,12-13H2,(H,20,24)(H2,19,21,22)
InChIKeyQYIAJRKFKMUJBH-UHFFFAOYSA-N
XLogP1.35
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 45244784) is 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is Nc1ncc(CN2CCC(CCC(=O)NCC3CCCO3)CC2)cn1.
What is the InChIKey of 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is QYIAJRKFKMUJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c19-18-21-10-15(11-22-18)13-23-7-5-14(6-8-23)3-4-17(24)20-12-16-2-1-9-25-16/h10-11,14,16H,1-9,12-13H2,(H,20,24)(H2,19,21,22).
What are the key properties of 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 45244784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).