2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide

C22H34N2O5 — CID 70056747

IUPAC2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
SMILESCCCCC(O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(N)=O
InChIInChI=1S/C22H34N2O5/c1-3-4-10-19(21(23)25)29-20(15-17-8-6-5-7-9-17)22(26)24-13-11-18(12-14-24)28-16-27-2/h5-9,18-20H,3-4,10-16H2,1-2H3,(H2,23,25)/t19?,20-/m0/s1
InChIKeyLBIHLOKGAGMXTG-ANYOKISRSA-N
MW406.52 g/mol
LogP2.27
Rot. Bonds12

About 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide

2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide (PubChem CID 70056747) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide.

Molecular Properties

Compound Name2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
PubChem CID70056747
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Name2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
SMILESCCCCC(O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(N)=O
InChIInChI=1S/C22H34N2O5/c1-3-4-10-19(21(23)25)29-20(15-17-8-6-5-7-9-17)22(26)24-13-11-18(12-14-24)28-16-27-2/h5-9,18-20H,3-4,10-16H2,1-2H3,(H2,23,25)/t19?,20-/m0/s1
InChIKeyLBIHLOKGAGMXTG-ANYOKISRSA-N
XLogP2.27
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoic acid
CID 10250828
(2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 56624863
2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70053583
(4S)-N-[3-(carbamoylamino)propyl]-6-cyclohexyl-4-hydroxy-5-[2-[1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoylamino]-2-propan-2-ylhexanamide
CID 171040102
ethyl 3-[[(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-ylhexanoyl]amino]propanoate
CID 10078848
3-(dimethylamino)propyl N-[(3S,5S,6S)-7-cyclohexyl-5-hydroxy-6-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-methylheptan-3-yl]carbamate
CID 14991499
methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
CID 70054611
N-[3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]propyl]-6-cyclohexyl-4-hydroxy-5-[2-[1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoylamino]-2-propan-2-ylhexanamide
CID 23277763
(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 70065546
(2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide
CID 95255810
1-(4-methoxypiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107022640
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The IUPAC name of 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide (CID 70056747) is 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide.
What is the SMILES notation for 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The canonical SMILES for 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide is CCCCC(O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(N)=O.
What is the InChIKey of 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The InChIKey is LBIHLOKGAGMXTG-ANYOKISRSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-3-4-10-19(21(23)25)29-20(15-17-8-6-5-7-9-17)22(26)24-13-11-18(12-14-24)28-16-27-2/h5-9,18-20H,3-4,10-16H2,1-2H3,(H2,23,25)/t19?,20-/m0/s1.
What are the key properties of 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide has a molecular weight of 406.52 g/mol, XLogP of 2.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide is sourced from PubChem (CID 70056747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).