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

C18H29N5O2 — CID 53165693

IUPACN-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2cncnc2N2CCCCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-25-12-7-20-18(24)15-5-10-22(11-6-15)16-13-19-14-21-17(16)23-8-3-2-4-9-23/h13-15H,2-12H2,1H3,(H,20,24)
InChIKeyITQWQGBXEVBUAQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.45
Rot. Bonds6

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

N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165693) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165693
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2cncnc2N2CCCCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-25-12-7-20-18(24)15-5-10-22(11-6-15)16-13-19-14-21-17(16)23-8-3-2-4-9-23/h13-15H,2-12H2,1H3,(H,20,24)
InChIKeyITQWQGBXEVBUAQ-UHFFFAOYSA-N
XLogP1.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.45
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-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165693) is N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2cncnc2N2CCCCC2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is ITQWQGBXEVBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-25-12-7-20-18(24)15-5-10-22(11-6-15)16-13-19-14-21-17(16)23-8-3-2-4-9-23/h13-15H,2-12H2,1H3,(H,20,24).
What are the key properties of N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.45, 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-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).