N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide

C16H25N3O3 — CID 86789543

IUPACN-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CNC(C)c2ccc(C)o2)C1
InChIInChI=1S/C16H25N3O3/c1-11-6-7-15(22-11)12(2)17-9-16(21)19-8-4-5-14(10-19)18-13(3)20/h6-7,12,14,17H,4-5,8-10H2,1-3H3,(H,18,20)
InChIKeyJAEHKXMQVHGNRR-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.37
Rot. Bonds5

About N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide

N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide (PubChem CID 86789543) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
PubChem CID86789543
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CNC(C)c2ccc(C)o2)C1
InChIInChI=1S/C16H25N3O3/c1-11-6-7-15(22-11)12(2)17-9-16(21)19-8-4-5-14(10-19)18-13(3)20/h6-7,12,14,17H,4-5,8-10H2,1-3H3,(H,18,20)
InChIKeyJAEHKXMQVHGNRR-UHFFFAOYSA-N
XLogP1.37
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97228273
N-[(3R)-1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide
CID 97228269
1-[4-[1-(5-methylfuran-2-yl)ethylamino]piperidin-1-yl]ethanone
CID 43224710
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
CID 71926391
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 86789730
[2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 71887977
N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide
CID 71968843
(3R)-3-acetamido-N-[(2S)-1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 97087871
3-acetamido-N-[1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 71893038

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide (CID 86789543) is N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CNC(C)c2ccc(C)o2)C1.
What is the InChIKey of N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide?
The InChIKey is JAEHKXMQVHGNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-6-7-15(22-11)12(2)17-9-16(21)19-8-4-5-14(10-19)18-13(3)20/h6-7,12,14,17H,4-5,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide?
N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 86789543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).