(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide

C21H32N2O4 — CID 100695273

IUPAC(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
SMILESCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H32N2O4/c1-16(2)14-21(3,26-4)20(25)22-17-8-10-18(11-9-17)27-15-19(24)23-12-6-5-7-13-23/h8-11,16H,5-7,12-15H2,1-4H3,(H,22,25)/t21-/m0/s1
InChIKeyCGOVQEPWNPWINW-NRFANRHFSA-N
MW376.50 g/mol
LogP3.47
Rot. Bonds8

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

(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide (PubChem CID 100695273) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
PubChem CID100695273
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
SMILESCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H32N2O4/c1-16(2)14-21(3,26-4)20(25)22-17-8-10-18(11-9-17)27-15-19(24)23-12-6-5-7-13-23/h8-11,16H,5-7,12-15H2,1-4H3,(H,22,25)/t21-/m0/s1
InChIKeyCGOVQEPWNPWINW-NRFANRHFSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide with MolForge

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Related Compounds

(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100695248
(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546
2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 133245908
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133245923
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100725803
4-methyl-2-(2-methylpropyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-propoxypentanamide
CID 100740788
(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 100708900
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100695331
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133167161

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide?
The IUPAC name of (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide (CID 100695273) is (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide?
The canonical SMILES for (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide is CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide?
The InChIKey is CGOVQEPWNPWINW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16(2)14-21(3,26-4)20(25)22-17-8-10-18(11-9-17)27-15-19(24)23-12-6-5-7-13-23/h8-11,16H,5-7,12-15H2,1-4H3,(H,22,25)/t21-/m0/s1.
What are the key properties of (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide?
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide has a molecular weight of 376.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide is sourced from PubChem (CID 100695273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).