N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide

C19H34N4O2 — CID 42394046

IUPACN-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCCCn1ncc(CN2CCC(CCC(=O)NCCOC)CC2)c1C
InChIInChI=1S/C19H34N4O2/c1-4-10-23-16(2)18(14-21-23)15-22-11-7-17(8-12-22)5-6-19(24)20-9-13-25-3/h14,17H,4-13,15H2,1-3H3,(H,20,24)
InChIKeyGSLYKIZYRQRMJW-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.36
Rot. Bonds10

About N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 42394046) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
PubChem CID42394046
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCCCn1ncc(CN2CCC(CCC(=O)NCCOC)CC2)c1C
InChIInChI=1S/C19H34N4O2/c1-4-10-23-16(2)18(14-21-23)15-22-11-7-17(8-12-22)5-6-19(24)20-9-13-25-3/h14,17H,4-13,15H2,1-3H3,(H,20,24)
InChIKeyGSLYKIZYRQRMJW-UHFFFAOYSA-N
XLogP2.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (CID 42394046) is N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is CCCn1ncc(CN2CCC(CCC(=O)NCCOC)CC2)c1C.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is GSLYKIZYRQRMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-4-10-23-16(2)18(14-21-23)15-22-11-7-17(8-12-22)5-6-19(24)20-9-13-25-3/h14,17H,4-13,15H2,1-3H3,(H,20,24).
What are the key properties of N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 350.51 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42394046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).