(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide

C21H32N2O3 — CID 100709144

IUPAC(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide
SMILESCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1)C1CC1
InChIInChI=1S/C21H32N2O3/c1-16-6-4-5-13-23(16)14-15-26-19-11-9-18(10-12-19)22-20(24)21(2,25-3)17-7-8-17/h9-12,16-17H,4-8,13-15H2,1-3H3,(H,22,24)/t16-,21+/m0/s1
InChIKeyHPNWLUCIFZUJJA-HRAATJIYSA-N
MW360.50 g/mol
LogP3.69
Rot. Bonds8

About (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide

(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide (PubChem CID 100709144) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide
PubChem CID100709144
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide
SMILESCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1)C1CC1
InChIInChI=1S/C21H32N2O3/c1-16-6-4-5-13-23(16)14-15-26-19-11-9-18(10-12-19)22-20(24)21(2,25-3)17-7-8-17/h9-12,16-17H,4-8,13-15H2,1-3H3,(H,22,24)/t16-,21+/m0/s1
InChIKeyHPNWLUCIFZUJJA-HRAATJIYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
CID 133246235
(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 125060316
2-cyclopropyl-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246460
2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100736402
(2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
CID 125061140
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
(2R)-2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxyhexanamide
CID 100741736
(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 100708900
(2S)-2,4-dimethyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 125061163
(2R)-2-ethoxy-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]hexanamide
CID 100727279
2-cyclopropyl-2-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]propanamide
CID 133246232
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100703803

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide?
The IUPAC name of (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide (CID 100709144) is (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide.
What is the SMILES notation for (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide?
The canonical SMILES for (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide is CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide?
The InChIKey is HPNWLUCIFZUJJA-HRAATJIYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16-6-4-5-13-23(16)14-15-26-19-11-9-18(10-12-19)22-20(24)21(2,25-3)17-7-8-17/h9-12,16-17H,4-8,13-15H2,1-3H3,(H,22,24)/t16-,21+/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide?
(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide is sourced from PubChem (CID 100709144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).