2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide

C17H29N5O2 — CID 53189420

IUPAC2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)NCCCOC)CC2)n1
InChIInChI=1S/C17H29N5O2/c1-3-18-17-20-9-5-15(21-17)22-10-6-14(7-11-22)13-16(23)19-8-4-12-24-2/h5,9,14H,3-4,6-8,10-13H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyGXCONILDSKKNTG-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.67
Rot. Bonds9

About 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide

2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 53189420) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide
PubChem CID53189420
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)NCCCOC)CC2)n1
InChIInChI=1S/C17H29N5O2/c1-3-18-17-20-9-5-15(21-17)22-10-6-14(7-11-22)13-16(23)19-8-4-12-24-2/h5,9,14H,3-4,6-8,10-13H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyGXCONILDSKKNTG-UHFFFAOYSA-N
XLogP1.67
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.67
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-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide (CID 53189420) is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide is CCNc1nccc(N2CCC(CC(=O)NCCCOC)CC2)n1.
What is the InChIKey of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is GXCONILDSKKNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-3-18-17-20-9-5-15(21-17)22-10-6-14(7-11-22)13-16(23)19-8-4-12-24-2/h5,9,14H,3-4,6-8,10-13H2,1-2H3,(H,19,23)(H,18,20,21).
What are the key properties of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide?
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 53189420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).