N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide

C13H20N2O2 — CID 60769782

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
SMILESCC1CCN(CCNC(=O)c2ccco2)CC1
InChIInChI=1S/C13H20N2O2/c1-11-4-7-15(8-5-11)9-6-14-13(16)12-3-2-10-17-12/h2-3,10-11H,4-9H2,1H3,(H,14,16)
InChIKeyNIXMXAMTPPPBDY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.74
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide

N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 60769782) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
PubChem CID60769782
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
SMILESCC1CCN(CCNC(=O)c2ccco2)CC1
InChIInChI=1S/C13H20N2O2/c1-11-4-7-15(8-5-11)9-6-14-13(16)12-3-2-10-17-12/h2-3,10-11H,4-9H2,1H3,(H,14,16)
InChIKeyNIXMXAMTPPPBDY-UHFFFAOYSA-N
XLogP1.74
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111386974
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55710554
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46523666
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978
N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
CID 7256034
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156886
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide (CID 60769782) is N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide is CC1CCN(CCNC(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is NIXMXAMTPPPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-4-7-15(8-5-11)9-6-14-13(16)12-3-2-10-17-12/h2-3,10-11H,4-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 60769782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).