(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide

C20H32N2O2 — CID 98774084

IUPAC(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H](C)OCc2ccccc2)C1
InChIInChI=1S/C20H32N2O2/c1-16-12-17(2)14-22(13-16)11-7-10-21-20(23)18(3)24-15-19-8-5-4-6-9-19/h4-6,8-9,16-18H,7,10-15H2,1-3H3,(H,21,23)/t16-,17-,18+/m1/s1
InChIKeyCZOWIWSSWVIEBF-KURKYZTESA-N
MW332.49 g/mol
LogP3.08
Rot. Bonds8

About (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide

(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide (PubChem CID 98774084) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide
PubChem CID98774084
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H](C)OCc2ccccc2)C1
InChIInChI=1S/C20H32N2O2/c1-16-12-17(2)14-22(13-16)11-7-10-21-20(23)18(3)24-15-19-8-5-4-6-9-19/h4-6,8-9,16-18H,7,10-15H2,1-3H3,(H,21,23)/t16-,17-,18+/m1/s1
InChIKeyCZOWIWSSWVIEBF-KURKYZTESA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111432382
(2S)-2-(3-chlorophenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]propanamide
CID 99952072
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
CID 47028889
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
CID 94174701
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-phenylmethoxypropanamide
CID 47028899
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 47035903
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99948161
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
CID 51952341
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973220

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide?
The IUPAC name of (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide (CID 98774084) is (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide?
The canonical SMILES for (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide is C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H](C)OCc2ccccc2)C1.
What is the InChIKey of (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide?
The InChIKey is CZOWIWSSWVIEBF-KURKYZTESA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16-12-17(2)14-22(13-16)11-7-10-21-20(23)18(3)24-15-19-8-5-4-6-9-19/h4-6,8-9,16-18H,7,10-15H2,1-3H3,(H,21,23)/t16-,17-,18+/m1/s1.
What are the key properties of (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide?
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide has a molecular weight of 332.49 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 98774084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).