N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide

C26H38FN3O4 — CID 157290044

IUPACN-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide
SMILESCCCC(=O)N1CCCC(NC(=O)C(=O)N(C)C)C1COC1CCC(c2ccccc2F)CC1
InChIInChI=1S/C26H38FN3O4/c1-4-8-24(31)30-16-7-11-22(28-25(32)26(33)29(2)3)23(30)17-34-19-14-12-18(13-15-19)20-9-5-6-10-21(20)27/h5-6,9-10,18-19,22-23H,4,7-8,11-17H2,1-3H3,(H,28,32)
InChIKeyBARPXSKXRUVLLH-UHFFFAOYSA-N
MW475.61 g/mol
LogP3.23
Rot. Bonds7

About N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide

N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide (PubChem CID 157290044) has the molecular formula C26H38FN3O4 and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide.

Molecular Properties

Compound NameN-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide
PubChem CID157290044
Molecular FormulaC26H38FN3O4
Molecular Weight475.61 g/mol
Exact Mass475.28
IUPAC NameN-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide
SMILESCCCC(=O)N1CCCC(NC(=O)C(=O)N(C)C)C1COC1CCC(c2ccccc2F)CC1
InChIInChI=1S/C26H38FN3O4/c1-4-8-24(31)30-16-7-11-22(28-25(32)26(33)29(2)3)23(30)17-34-19-14-12-18(13-15-19)20-9-5-6-10-21(20)27/h5-6,9-10,18-19,22-23H,4,7-8,11-17H2,1-3H3,(H,28,32)
InChIKeyBARPXSKXRUVLLH-UHFFFAOYSA-N
XLogP3.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

US10287305, Example 4
CID 130310087
US10287305, Example 182
CID 130310241
Orexin 2 Receptor Agonist 2
CID 130310089
US10287305, Example 117
CID 130310188
US10287305, Example 213
CID 130310268
US10287305, Example 242
CID 130310297
US10287305, Example 258
CID 130310310
US10287305, Example 148
CID 130312554
US10287305, Example 136
CID 130312594
US10287305, Example 144
CID 130312645
2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-dimethylamino-ethyl]-4-morpholin-4-yl-4-oxo-butyramide
CID 10031765
(2S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]hexanamide
CID 10415718

Frequently Asked Questions

What is the IUPAC name of N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide?
The IUPAC name of N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide (CID 157290044) is N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide.
What is the SMILES notation for N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide?
The canonical SMILES for N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide is CCCC(=O)N1CCCC(NC(=O)C(=O)N(C)C)C1COC1CCC(c2ccccc2F)CC1.
What is the InChIKey of N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide?
The InChIKey is BARPXSKXRUVLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN3O4/c1-4-8-24(31)30-16-7-11-22(28-25(32)26(33)29(2)3)23(30)17-34-19-14-12-18(13-15-19)20-9-5-6-10-21(20)27/h5-6,9-10,18-19,22-23H,4,7-8,11-17H2,1-3H3,(H,28,32).
What are the key properties of N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide?
N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide has a molecular weight of 475.61 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butanoyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]-N',N'-dimethyloxamide is sourced from PubChem (CID 157290044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).