3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide

C19H37N3O2 — CID 176596616

IUPAC3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide
SMILESCC1CCC(NCCCNC(=O)C(C)(O)CC2CCCCC2)NC1
InChIInChI=1S/C19H37N3O2/c1-15-9-10-17(22-14-15)20-11-6-12-21-18(23)19(2,24)13-16-7-4-3-5-8-16/h15-17,20,22,24H,3-14H2,1-2H3,(H,21,23)
InChIKeyGCKZDRKOIGFPQE-UHFFFAOYSA-N
MW339.52 g/mol
LogP2.15
Rot. Bonds8

About 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide

3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide (PubChem CID 176596616) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide
PubChem CID176596616
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide
SMILESCC1CCC(NCCCNC(=O)C(C)(O)CC2CCCCC2)NC1
InChIInChI=1S/C19H37N3O2/c1-15-9-10-17(22-14-15)20-11-6-12-21-18(23)19(2,24)13-16-7-4-3-5-8-16/h15-17,20,22,24H,3-14H2,1-2H3,(H,21,23)
InChIKeyGCKZDRKOIGFPQE-UHFFFAOYSA-N
XLogP2.15
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.15
H-Bond Donors ≤ 54
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-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide?
The IUPAC name of 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide (CID 176596616) is 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide?
The canonical SMILES for 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide is CC1CCC(NCCCNC(=O)C(C)(O)CC2CCCCC2)NC1.
What is the InChIKey of 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide?
The InChIKey is GCKZDRKOIGFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-15-9-10-17(22-14-15)20-11-6-12-21-18(23)19(2,24)13-16-7-4-3-5-8-16/h15-17,20,22,24H,3-14H2,1-2H3,(H,21,23).
What are the key properties of 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide?
3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide has a molecular weight of 339.52 g/mol, XLogP of 2.15, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide is sourced from PubChem (CID 176596616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).