2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

C18H31N5O2 — CID 53189390

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCCOC(C)C)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-14(2)25-12-4-8-20-17(24)13-15-6-10-23(11-7-15)16-5-9-21-18(19-3)22-16/h5,9,14-15H,4,6-8,10-13H2,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyRZCFXELWKAQEEJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.06
Rot. Bonds9

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 53189390) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID53189390
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCCOC(C)C)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-14(2)25-12-4-8-20-17(24)13-15-6-10-23(11-7-15)16-5-9-21-18(19-3)22-16/h5,9,14-15H,4,6-8,10-13H2,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyRZCFXELWKAQEEJ-UHFFFAOYSA-N
XLogP2.06
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 53189390) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is CNc1nccc(N2CCC(CC(=O)NCCCOC(C)C)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is RZCFXELWKAQEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-14(2)25-12-4-8-20-17(24)13-15-6-10-23(11-7-15)16-5-9-21-18(19-3)22-16/h5,9,14-15H,4,6-8,10-13H2,1-3H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 53189390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).