(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide

C20H32N2O3 — CID 100697324

IUPAC(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
SMILESCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-4-12-20(2,24-3)19(23)21-17-8-10-18(11-9-17)25-16-15-22-13-6-5-7-14-22/h8-11H,4-7,12-16H2,1-3H3,(H,21,23)/t20-/m0/s1
InChIKeyUJAMDTJTJLCSSO-FQEVSTJZSA-N
MW348.49 g/mol
LogP3.69
Rot. Bonds9

About (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide

(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide (PubChem CID 100697324) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
PubChem CID100697324
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
SMILESCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-4-12-20(2,24-3)19(23)21-17-8-10-18(11-9-17)25-16-15-22-13-6-5-7-14-22/h8-11H,4-7,12-16H2,1-3H3,(H,21,23)/t20-/m0/s1
InChIKeyUJAMDTJTJLCSSO-FQEVSTJZSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 133245908
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2R)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728383
(2S)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728392
(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
CID 100700350
(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide?
The IUPAC name of (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide (CID 100697324) is (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide?
The canonical SMILES for (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide is CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide?
The InChIKey is UJAMDTJTJLCSSO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-12-20(2,24-3)19(23)21-17-8-10-18(11-9-17)25-16-15-22-13-6-5-7-14-22/h8-11H,4-7,12-16H2,1-3H3,(H,21,23)/t20-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide?
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide has a molecular weight of 348.49 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide is sourced from PubChem (CID 100697324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).