4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide

C17H26N2O2 — CID 86744370

IUPAC4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
SMILESCOC1CCCN(CCCC(=O)N(C)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-18(15-8-4-3-5-9-15)17(20)11-7-13-19-12-6-10-16(14-19)21-2/h3-5,8-9,16H,6-7,10-14H2,1-2H3
InChIKeySHWRSCJNVHEPTA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.54
Rot. Bonds6

About 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide

4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide (PubChem CID 86744370) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
PubChem CID86744370
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
SMILESCOC1CCCN(CCCC(=O)N(C)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-18(15-8-4-3-5-9-15)17(20)11-7-13-19-12-6-10-16(14-19)21-2/h3-5,8-9,16H,6-7,10-14H2,1-2H3
InChIKeySHWRSCJNVHEPTA-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate
CID 58280187
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 102966510
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
N-methyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014553
11-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-phenylundecanamide
CID 17035156
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide (CID 86744370) is 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide is COC1CCCN(CCCC(=O)N(C)c2ccccc2)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide?
The InChIKey is SHWRSCJNVHEPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(15-8-4-3-5-9-15)17(20)11-7-13-19-12-6-10-16(14-19)21-2/h3-5,8-9,16H,6-7,10-14H2,1-2H3.
What are the key properties of 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide?
4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 86744370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).