2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide

C21H39N3O2 — CID 46295183

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H39N3O2/c1-3-23(4-2)14-8-13-22-20(25)17-18-11-15-24(16-12-18)21(26)19-9-6-5-7-10-19/h18-19H,3-17H2,1-2H3,(H,22,25)
InChIKeySVXGQHZVXPIKSD-UHFFFAOYSA-N
MW365.56 g/mol
LogP3.04
Rot. Bonds9

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide (PubChem CID 46295183) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide
PubChem CID46295183
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H39N3O2/c1-3-23(4-2)14-8-13-22-20(25)17-18-11-15-24(16-12-18)21(26)19-9-6-5-7-10-19/h18-19H,3-17H2,1-2H3,(H,22,25)
InChIKeySVXGQHZVXPIKSD-UHFFFAOYSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide (CID 46295183) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide is CCN(CC)CCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide?
The InChIKey is SVXGQHZVXPIKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-3-23(4-2)14-8-13-22-20(25)17-18-11-15-24(16-12-18)21(26)19-9-6-5-7-10-19/h18-19H,3-17H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide has a molecular weight of 365.56 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(diethylamino)propyl]acetamide is sourced from PubChem (CID 46295183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).