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

C14H22N2O2 — CID 55167016

IUPAC3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccc(C)o2)CCCNC1
InChIInChI=1S/C14H22N2O2/c1-3-14(7-4-8-15-10-14)13(17)16-9-12-6-5-11(2)18-12/h5-6,15H,3-4,7-10H2,1-2H3,(H,16,17)
InChIKeySVUQAIJIZWSOOD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.98
Rot. Bonds4

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

3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 55167016) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
PubChem CID55167016
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccc(C)o2)CCCNC1
InChIInChI=1S/C14H22N2O2/c1-3-14(7-4-8-15-10-14)13(17)16-9-12-6-5-11(2)18-12/h5-6,15H,3-4,7-10H2,1-2H3,(H,16,17)
InChIKeySVUQAIJIZWSOOD-UHFFFAOYSA-N
XLogP1.98
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
3-ethyl-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 63130359
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
(2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide
CID 99766904
3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 63131523
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 63130099
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 63134948
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide (CID 55167016) is 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide is CCC1(C(=O)NCc2ccc(C)o2)CCCNC1.
What is the InChIKey of 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is SVUQAIJIZWSOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(7-4-8-15-10-14)13(17)16-9-12-6-5-11(2)18-12/h5-6,15H,3-4,7-10H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55167016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).