N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide

C19H30N2O2 — CID 47038146

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCCN2CC(C)CC(C)C2)c1
InChIInChI=1S/C19H30N2O2/c1-15-6-4-7-18(11-15)23-14-19(22)20-8-5-9-21-12-16(2)10-17(3)13-21/h4,6-7,11,16-17H,5,8-10,12-14H2,1-3H3,(H,20,22)
InChIKeyCZKDPFPYNFLCDT-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.86
Rot. Bonds7

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide (PubChem CID 47038146) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide
PubChem CID47038146
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCCN2CC(C)CC(C)C2)c1
InChIInChI=1S/C19H30N2O2/c1-15-6-4-7-18(11-15)23-14-19(22)20-8-5-9-21-12-16(2)10-17(3)13-21/h4,6-7,11,16-17H,5,8-10,12-14H2,1-3H3,(H,20,22)
InChIKeyCZKDPFPYNFLCDT-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.86
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

(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methylphenoxy)butanamide
CID 92684252
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 125167110
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
(2S)-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methoxyphenoxy)butanamide
CID 28631887
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
2-(2,6-dimethylmorpholin-4-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 87012344
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664
N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 110667280

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide (CID 47038146) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCCCN2CC(C)CC(C)C2)c1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is CZKDPFPYNFLCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-6-4-7-18(11-15)23-14-19(22)20-8-5-9-21-12-16(2)10-17(3)13-21/h4,6-7,11,16-17H,5,8-10,12-14H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 47038146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).