3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

C21H37N5O — CID 45222098

IUPAC3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C21H37N5O/c1-3-25-11-5-6-20(25)15-22-21(27)8-7-18-9-12-24(13-10-18)16-19-14-23-26(4-2)17-19/h14,17-18,20H,3-13,15-16H2,1-2H3,(H,22,27)
InChIKeyUHUQJSZIRABCSW-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.50
Rot. Bonds9

About 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 45222098) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
PubChem CID45222098
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C21H37N5O/c1-3-25-11-5-6-20(25)15-22-21(27)8-7-18-9-12-24(13-10-18)16-19-14-23-26(4-2)17-19/h14,17-18,20H,3-13,15-16H2,1-2H3,(H,22,27)
InChIKeyUHUQJSZIRABCSW-UHFFFAOYSA-N
XLogP2.50
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide (CID 45222098) is 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(Cc2cnn(CC)c2)CC1.
What is the InChIKey of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is UHUQJSZIRABCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-3-25-11-5-6-20(25)15-22-21(27)8-7-18-9-12-24(13-10-18)16-19-14-23-26(4-2)17-19/h14,17-18,20H,3-13,15-16H2,1-2H3,(H,22,27).
What are the key properties of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 375.56 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 45222098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).