N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

C17H27N5O2 — CID 53165617

IUPACN-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2cncnc2N2CCCC2)CC1
InChIInChI=1S/C17H27N5O2/c1-24-11-6-19-17(23)14-4-9-21(10-5-14)15-12-18-13-20-16(15)22-7-2-3-8-22/h12-14H,2-11H2,1H3,(H,19,23)
InChIKeyLOFNGIIPYMKVJG-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.06
Rot. Bonds6

About N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165617) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165617
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2cncnc2N2CCCC2)CC1
InChIInChI=1S/C17H27N5O2/c1-24-11-6-19-17(23)14-4-9-21(10-5-14)15-12-18-13-20-16(15)22-7-2-3-8-22/h12-14H,2-11H2,1H3,(H,19,23)
InChIKeyLOFNGIIPYMKVJG-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.06
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-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165617) is N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2cncnc2N2CCCC2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is LOFNGIIPYMKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-24-11-6-19-17(23)14-4-9-21(10-5-14)15-12-18-13-20-16(15)22-7-2-3-8-22/h12-14H,2-11H2,1H3,(H,19,23).
What are the key properties of N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).