(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide

C23H36N2O3 — CID 125060316

IUPAC(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
SMILESCCCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1)C1CC1
InChIInChI=1S/C23H36N2O3/c1-4-16-28-23(3,19-8-9-19)22(26)24-20-10-12-21(13-11-20)27-17-15-25-14-6-5-7-18(25)2/h10-13,18-19H,4-9,14-17H2,1-3H3,(H,24,26)/t18-,23-/m1/s1
InChIKeyDOOYCVOGEWQIFB-WZONZLPQSA-N
MW388.55 g/mol
LogP4.47
Rot. Bonds10

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

(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide (PubChem CID 125060316) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
PubChem CID125060316
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
SMILESCCCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1)C1CC1
InChIInChI=1S/C23H36N2O3/c1-4-16-28-23(3,19-8-9-19)22(26)24-20-10-12-21(13-11-20)27-17-15-25-14-6-5-7-18(25)2/h10-13,18-19H,4-9,14-17H2,1-3H3,(H,24,26)/t18-,23-/m1/s1
InChIKeyDOOYCVOGEWQIFB-WZONZLPQSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide
CID 100709144
(2R)-2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxyhexanamide
CID 100741736
2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
CID 133246235
(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-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
CID 125061140
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
CID 100737614
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361
(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
(2R)-2-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxyheptanamide
CID 125061186
(2R)-2-cyclopropyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-propoxypropanamide
CID 100717701

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide?
The IUPAC name of (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide (CID 125060316) is (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide.
What is the SMILES notation for (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide?
The canonical SMILES for (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide is CCCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide?
The InChIKey is DOOYCVOGEWQIFB-WZONZLPQSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-4-16-28-23(3,19-8-9-19)22(26)24-20-10-12-21(13-11-20)27-17-15-25-14-6-5-7-18(25)2/h10-13,18-19H,4-9,14-17H2,1-3H3,(H,24,26)/t18-,23-/m1/s1.
What are the key properties of (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide?
(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide has a molecular weight of 388.55 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide is sourced from PubChem (CID 125060316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).