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

C16H26N4O3 — CID 53189317

IUPACN-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCOCCCNC(=O)CC1CCN(c2ccnc(OC)n2)CC1
InChIInChI=1S/C16H26N4O3/c1-22-11-3-7-17-15(21)12-13-5-9-20(10-6-13)14-4-8-18-16(19-14)23-2/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,17,21)
InChIKeyCEOXYCDARAGPDK-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.24
Rot. Bonds8

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

N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 53189317) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID53189317
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCOCCCNC(=O)CC1CCN(c2ccnc(OC)n2)CC1
InChIInChI=1S/C16H26N4O3/c1-22-11-3-7-17-15(21)12-13-5-9-20(10-6-13)14-4-8-18-16(19-14)23-2/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,17,21)
InChIKeyCEOXYCDARAGPDK-UHFFFAOYSA-N
XLogP1.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (CID 53189317) is N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is COCCCNC(=O)CC1CCN(c2ccnc(OC)n2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is CEOXYCDARAGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-22-11-3-7-17-15(21)12-13-5-9-20(10-6-13)14-4-8-18-16(19-14)23-2/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,17,21).
What are the key properties of N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 53189317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).