(2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C19H30N2O2 — CID 99818310

IUPAC(2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C19H30N2O2/c1-4-18(23-17-7-5-6-15(2)14-17)19(22)20-11-8-16-9-12-21(3)13-10-16/h5-7,14,16,18H,4,8-13H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyPXSXWMIYKAZZMF-GOSISDBHSA-N
MW318.46 g/mol
LogP3.00
Rot. Bonds7

About (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

(2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 99818310) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID99818310
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C19H30N2O2/c1-4-18(23-17-7-5-6-15(2)14-17)19(22)20-11-8-16-9-12-21(3)13-10-16/h5-7,14,16,18H,4,8-13H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyPXSXWMIYKAZZMF-GOSISDBHSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2R)-2-(4-methoxyphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99971602
(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
2-(3-methylphenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393618
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methylphenoxy)butanamide
CID 92684252
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133187856
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 99818310) is (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC1CCN(C)CC1.
What is the InChIKey of (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is PXSXWMIYKAZZMF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-18(23-17-7-5-6-15(2)14-17)19(22)20-11-8-16-9-12-21(3)13-10-16/h5-7,14,16,18H,4,8-13H2,1-3H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
(2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 318.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 99818310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).