N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide

C21H28N2O2 — CID 45155822

IUPACN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
SMILESCc1ccc(C(CNC(=O)Cc2ccccc2)N2CCC(C)CC2)o1
InChIInChI=1S/C21H28N2O2/c1-16-10-12-23(13-11-16)19(20-9-8-17(2)25-20)15-22-21(24)14-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3,(H,22,24)
InChIKeyTVXKXXZYVBIVEM-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide

N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide (PubChem CID 45155822) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
PubChem CID45155822
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
SMILESCc1ccc(C(CNC(=O)Cc2ccccc2)N2CCC(C)CC2)o1
InChIInChI=1S/C21H28N2O2/c1-16-10-12-23(13-11-16)19(20-9-8-17(2)25-20)15-22-21(24)14-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3,(H,22,24)
InChIKeyTVXKXXZYVBIVEM-UHFFFAOYSA-N
XLogP3.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 26834847
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26834793
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 26834791
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
CID 146052749
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46270223
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 26834779
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119873717
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 26834823
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119873716
3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 45155399
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide (CID 45155822) is N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide is Cc1ccc(C(CNC(=O)Cc2ccccc2)N2CCC(C)CC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The InChIKey is TVXKXXZYVBIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-10-12-23(13-11-16)19(20-9-8-17(2)25-20)15-22-21(24)14-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide?
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide has a molecular weight of 340.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 45155822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).