(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide

C16H26N2O3 — CID 120637446

IUPAC(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide
SMILESCCc1ccc(C(COC)NC(=O)[C@H]2CCN[C@@H](C)C2)o1
InChIInChI=1S/C16H26N2O3/c1-4-13-5-6-15(21-13)14(10-20-3)18-16(19)12-7-8-17-11(2)9-12/h5-6,11-12,14,17H,4,7-10H2,1-3H3,(H,18,19)/t11-,12-,14?/m0/s1
InChIKeyIKOSTHAUPMZZFC-VHBIQUBJSA-N
MW294.40 g/mol
LogP2.03
Rot. Bonds6

About (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120637446) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120637446
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide
SMILESCCc1ccc(C(COC)NC(=O)[C@H]2CCN[C@@H](C)C2)o1
InChIInChI=1S/C16H26N2O3/c1-4-13-5-6-15(21-13)14(10-20-3)18-16(19)12-7-8-17-11(2)9-12/h5-6,11-12,14,17H,4,7-10H2,1-3H3,(H,18,19)/t11-,12-,14?/m0/s1
InChIKeyIKOSTHAUPMZZFC-VHBIQUBJSA-N
XLogP2.03
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120618239
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122003589
(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 120631942
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
ethyl 3-(2-methylphenyl)-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120638128
ethyl 3-(2-methylphenyl)-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate;hydrochloride
CID 120638127
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996552
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide (CID 120637446) is (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide is CCc1ccc(C(COC)NC(=O)[C@H]2CCN[C@@H](C)C2)o1.
What is the InChIKey of (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is IKOSTHAUPMZZFC-VHBIQUBJSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-13-5-6-15(21-13)14(10-20-3)18-16(19)12-7-8-17-11(2)9-12/h5-6,11-12,14,17H,4,7-10H2,1-3H3,(H,18,19)/t11-,12-,14?/m0/s1.
What are the key properties of (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120637446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).