(2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide

C24H29N3O2 — CID 94866515

IUPAC(2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide
SMILESC[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-18-6-5-13-27(16-18)17-22-8-4-3-7-21(22)15-26-24(28)19(2)29-23-11-9-20(14-25)10-12-23/h3-4,7-12,18-19H,5-6,13,15-17H2,1-2H3,(H,26,28)/t18-,19+/m1/s1
InChIKeyDEDYJYPVTMTKQQ-MOPGFXCFSA-N
MW391.52 g/mol
LogP3.87
Rot. Bonds7

About (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide

(2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide (PubChem CID 94866515) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide
PubChem CID94866515
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide
SMILESC[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-18-6-5-13-27(16-18)17-22-8-4-3-7-21(22)15-26-24(28)19(2)29-23-11-9-20(14-25)10-12-23/h3-4,7-12,18-19H,5-6,13,15-17H2,1-2H3,(H,26,28)/t18-,19+/m1/s1
InChIKeyDEDYJYPVTMTKQQ-MOPGFXCFSA-N
XLogP3.87
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51327763
2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843
(2R)-2-(4-fluorophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644449
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
3-[4-(cyanomethoxy)phenyl]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]prop-2-enamide
CID 55713862
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 94796902
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide (CID 94866515) is (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide is C[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide?
The InChIKey is DEDYJYPVTMTKQQ-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-6-5-13-27(16-18)17-22-8-4-3-7-21(22)15-26-24(28)19(2)29-23-11-9-20(14-25)10-12-23/h3-4,7-12,18-19H,5-6,13,15-17H2,1-2H3,(H,26,28)/t18-,19+/m1/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide?
(2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 94866515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).