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

C19H29N5O3 — CID 53189315

IUPAC2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCCCN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H29N5O3/c1-27-19-21-9-5-16(22-19)23-12-6-15(7-13-23)14-17(25)20-8-3-11-24-10-2-4-18(24)26/h5,9,15H,2-4,6-8,10-14H2,1H3,(H,20,25)
InChIKeyJCCDCAXPOYWPIQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.22
Rot. Bonds8

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

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 53189315) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID53189315
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCCCN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H29N5O3/c1-27-19-21-9-5-16(22-19)23-12-6-15(7-13-23)14-17(25)20-8-3-11-24-10-2-4-18(24)26/h5,9,15H,2-4,6-8,10-14H2,1H3,(H,20,25)
InChIKeyJCCDCAXPOYWPIQ-UHFFFAOYSA-N
XLogP1.22
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.22
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 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 53189315) is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is COc1nccc(N2CCC(CC(=O)NCCCN3CCCC3=O)CC2)n1.
What is the InChIKey of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is JCCDCAXPOYWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-27-19-21-9-5-16(22-19)23-12-6-15(7-13-23)14-17(25)20-8-3-11-24-10-2-4-18(24)26/h5,9,15H,2-4,6-8,10-14H2,1H3,(H,20,25).
What are the key properties of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 53189315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).