N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide

C22H30N2O3 — CID 121057623

IUPACN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide
SMILESCc1cc(CN2CCC(CNC(=O)C(C)Oc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C22H30N2O3/c1-16-13-20(17(2)26-16)15-24-11-9-19(10-12-24)14-23-22(25)18(3)27-21-7-5-4-6-8-21/h4-8,13,18-19H,9-12,14-15H2,1-3H3,(H,23,25)
InChIKeyDFQKHYLUVZAHHI-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.69
Rot. Bonds7

About N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide

N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide (PubChem CID 121057623) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide
PubChem CID121057623
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide
SMILESCc1cc(CN2CCC(CNC(=O)C(C)Oc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C22H30N2O3/c1-16-13-20(17(2)26-16)15-24-11-9-19(10-12-24)14-23-22(25)18(3)27-21-7-5-4-6-8-21/h4-8,13,18-19H,9-12,14-15H2,1-3H3,(H,23,25)
InChIKeyDFQKHYLUVZAHHI-UHFFFAOYSA-N
XLogP3.69
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 121126883
1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(2-methoxyethyl)urea
CID 121057629
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843
1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea
CID 91812785
N'-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 121056458
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide
CID 121056475
(2R)-N-[[(2S)-8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-phenoxypropanamide
CID 42318491

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide?
The IUPAC name of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide (CID 121057623) is N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide is Cc1cc(CN2CCC(CNC(=O)C(C)Oc3ccccc3)CC2)c(C)o1.
What is the InChIKey of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide?
The InChIKey is DFQKHYLUVZAHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-13-20(17(2)26-16)15-24-11-9-19(10-12-24)14-23-22(25)18(3)27-21-7-5-4-6-8-21/h4-8,13,18-19H,9-12,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide?
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide has a molecular weight of 370.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 121057623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).