(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide

C14H22N2O2 — CID 120631942

IUPAC(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)o1
InChIInChI=1S/C14H22N2O2/c1-9-8-12(6-7-15-9)14(17)16-11(3)13-5-4-10(2)18-13/h4-5,9,11-12,15H,6-8H2,1-3H3,(H,16,17)/t9-,11?,12-/m0/s1
InChIKeyFNRCGSSALPNXMI-VAGKLZBCSA-N
MW250.34 g/mol
LogP2.15
Rot. Bonds3

About (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 120631942) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID120631942
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)o1
InChIInChI=1S/C14H22N2O2/c1-9-8-12(6-7-15-9)14(17)16-11(3)13-5-4-10(2)18-13/h4-5,9,11-12,15H,6-8H2,1-3H3,(H,16,17)/t9-,11?,12-/m0/s1
InChIKeyFNRCGSSALPNXMI-VAGKLZBCSA-N
XLogP2.15
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 43703387
(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120633740
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120638054
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2S,4S)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120625124
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
(2S,4S)-N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624260
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide (CID 120631942) is (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide is Cc1ccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)o1.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is FNRCGSSALPNXMI-VAGKLZBCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-8-12(6-7-15-9)14(17)16-11(3)13-5-4-10(2)18-13/h4-5,9,11-12,15H,6-8H2,1-3H3,(H,16,17)/t9-,11?,12-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120631942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).