(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide

C17H24N2O3 — CID 94809382

IUPAC(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide
SMILESCCc1ccccc1OCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-3-13-6-4-5-7-15(13)22-11-16(20)19-10-14(17(18)21)9-8-12(19)2/h4-7,12,14H,3,8-11H2,1-2H3,(H2,18,21)/t12-,14-/m0/s1
InChIKeyCLOWLGLJGYBLLS-JSGCOSHPSA-N
MW304.39 g/mol
LogP1.74
Rot. Bonds5

About (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide

(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide (PubChem CID 94809382) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide
PubChem CID94809382
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide
SMILESCCc1ccccc1OCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-3-13-6-4-5-7-15(13)22-11-16(20)19-10-14(17(18)21)9-8-12(19)2/h4-7,12,14H,3,8-11H2,1-2H3,(H2,18,21)/t12-,14-/m0/s1
InChIKeyCLOWLGLJGYBLLS-JSGCOSHPSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94482779
(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94472229
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
(3S,6R)-1-[2-[4-(cyanomethyl)phenoxy]acetyl]-6-methylpiperidine-3-carboxamide
CID 94482510
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide
CID 95585501
(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide
CID 95584899
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95313879
(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 95585123

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide (CID 94809382) is (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide is CCc1ccccc1OCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C.
What is the InChIKey of (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is CLOWLGLJGYBLLS-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-13-6-4-5-7-15(13)22-11-16(20)19-10-14(17(18)21)9-8-12(19)2/h4-7,12,14H,3,8-11H2,1-2H3,(H2,18,21)/t12-,14-/m0/s1.
What are the key properties of (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 94809382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).