N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide

C13H20N2O2 — CID 43703387

IUPACN-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCCNC2)o1
InChIInChI=1S/C13H20N2O2/c1-9-5-6-12(17-9)10(2)15-13(16)11-4-3-7-14-8-11/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyHWLHSSAVORYMMI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide

N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 43703387) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID43703387
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCCNC2)o1
InChIInChI=1S/C13H20N2O2/c1-9-5-6-12(17-9)10(2)15-13(16)11-4-3-7-14-8-11/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyHWLHSSAVORYMMI-UHFFFAOYSA-N
XLogP1.76
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-piperidin-3-ylpropanamide
CID 83198706
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 120631942
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(3S)-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 81140632
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide (CID 43703387) is N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide is Cc1ccc(C(C)NC(=O)C2CCCNC2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is HWLHSSAVORYMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-6-12(17-9)10(2)15-13(16)11-4-3-7-14-8-11/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide?
N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43703387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).