3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide

C16H28N4O — CID 72940670

IUPAC3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1cnn(CCCNC(=O)CCC2CCCCN2C)c1
InChIInChI=1S/C16H28N4O/c1-14-12-18-20(13-14)11-5-9-17-16(21)8-7-15-6-3-4-10-19(15)2/h12-13,15H,3-11H2,1-2H3,(H,17,21)
InChIKeyWLHBUCRSVOXLQP-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.96
Rot. Bonds7

About 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide

3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide (PubChem CID 72940670) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide
PubChem CID72940670
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1cnn(CCCNC(=O)CCC2CCCCN2C)c1
InChIInChI=1S/C16H28N4O/c1-14-12-18-20(13-14)11-5-9-17-16(21)8-7-15-6-3-4-10-19(15)2/h12-13,15H,3-11H2,1-2H3,(H,17,21)
InChIKeyWLHBUCRSVOXLQP-UHFFFAOYSA-N
XLogP1.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide (CID 72940670) is 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide is Cc1cnn(CCCNC(=O)CCC2CCCCN2C)c1.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide?
The InChIKey is WLHBUCRSVOXLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-14-12-18-20(13-14)11-5-9-17-16(21)8-7-15-6-3-4-10-19(15)2/h12-13,15H,3-11H2,1-2H3,(H,17,21).
What are the key properties of 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide?
3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 72940670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).