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

C22H34N2O5 — CID 56624863

IUPAC(2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
SMILESCCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCCCC1OCOC)C(N)=O
InChIInChI=1S/C22H34N2O5/c1-3-4-12-18(21(23)25)29-19(15-17-10-6-5-7-11-17)22(26)24-14-9-8-13-20(24)28-16-27-2/h5-7,10-11,18-20H,3-4,8-9,12-16H2,1-2H3,(H2,23,25)/t18-,19-,20?/m0/s1
InChIKeyDGPVRLCGONKTGP-NFBCFJMWSA-N
MW406.52 g/mol
LogP2.62
Rot. Bonds12

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

(2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide (PubChem CID 56624863) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
PubChem CID56624863
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Name(2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
SMILESCCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCCCC1OCOC)C(N)=O
InChIInChI=1S/C22H34N2O5/c1-3-4-12-18(21(23)25)29-19(15-17-10-6-5-7-11-17)22(26)24-14-9-8-13-20(24)28-16-27-2/h5-7,10-11,18-20H,3-4,8-9,12-16H2,1-2H3,(H2,23,25)/t18-,19-,20?/m0/s1
InChIKeyDGPVRLCGONKTGP-NFBCFJMWSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70056747
(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoic acid
CID 10250828
2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70053583
methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
CID 70054611
(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
(2-ethoxypiperidin-1-yl)-phenylmethanone
CID 134988342
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
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate
CID 150470163
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The IUPAC name of (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide (CID 56624863) is (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide.
What is the SMILES notation for (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The canonical SMILES for (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide is CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCCCC1OCOC)C(N)=O.
What is the InChIKey of (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The InChIKey is DGPVRLCGONKTGP-NFBCFJMWSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-3-4-12-18(21(23)25)29-19(15-17-10-6-5-7-11-17)22(26)24-14-9-8-13-20(24)28-16-27-2/h5-7,10-11,18-20H,3-4,8-9,12-16H2,1-2H3,(H2,23,25)/t18-,19-,20?/m0/s1.
What are the key properties of (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
(2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide has a molecular weight of 406.52 g/mol, XLogP of 2.62, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide is sourced from PubChem (CID 56624863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).