N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide

C25H44FN3O4 — CID 166339443

IUPACN-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide
SMILESCCOCCNC(=O)C(C1CCN(C2CCCCC2)CC1)N(CC1CCOC1)C(=O)CCF
InChIInChI=1S/C25H44FN3O4/c1-2-32-17-13-27-25(31)24(29(23(30)8-12-26)18-20-11-16-33-19-20)21-9-14-28(15-10-21)22-6-4-3-5-7-22/h20-22,24H,2-19H2,1H3,(H,27,31)
InChIKeySSZKDAAXHQDJCE-UHFFFAOYSA-N
MW469.64 g/mol
LogP2.78
Rot. Bonds12

About N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide

N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 166339443) has the molecular formula C25H44FN3O4 and a molecular weight of 469.64 g/mol. Its IUPAC name is N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide
PubChem CID166339443
Molecular FormulaC25H44FN3O4
Molecular Weight469.64 g/mol
Exact Mass469.33
IUPAC NameN-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide
SMILESCCOCCNC(=O)C(C1CCN(C2CCCCC2)CC1)N(CC1CCOC1)C(=O)CCF
InChIInChI=1S/C25H44FN3O4/c1-2-32-17-13-27-25(31)24(29(23(30)8-12-26)18-20-11-16-33-19-20)21-9-14-28(15-10-21)22-6-4-3-5-7-22/h20-22,24H,2-19H2,1H3,(H,27,31)
InChIKeySSZKDAAXHQDJCE-UHFFFAOYSA-N
XLogP2.78
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.64
LogP ≤ 52.78
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-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide (CID 166339443) is N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide is CCOCCNC(=O)C(C1CCN(C2CCCCC2)CC1)N(CC1CCOC1)C(=O)CCF.
What is the InChIKey of N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is SSZKDAAXHQDJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44FN3O4/c1-2-32-17-13-27-25(31)24(29(23(30)8-12-26)18-20-11-16-33-19-20)21-9-14-28(15-10-21)22-6-4-3-5-7-22/h20-22,24H,2-19H2,1H3,(H,27,31).
What are the key properties of N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide?
N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 469.64 g/mol, XLogP of 2.78, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2-ethoxyethylamino)-2-oxoethyl]-3-fluoro-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 166339443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).