N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide

C17H26N2O3 — CID 651928

IUPACN-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCCC(C)C2)c1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-9-19(12-13)10-8-17(20)18-15-11-14(21-2)6-7-16(15)22-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyYVHQGBQMZABFIK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.76
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide

N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide (PubChem CID 651928) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide
PubChem CID651928
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCCC(C)C2)c1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-9-19(12-13)10-8-17(20)18-15-11-14(21-2)6-7-16(15)22-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyYVHQGBQMZABFIK-UHFFFAOYSA-N
XLogP2.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
2',5'-Dimethoxyacetoacetanilide
CID 80777
1-(2,5-Dimethoxyphenyl)piperazine
CID 2758473
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
N-(2,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 531888
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
N-(2,5-Dimethoxyphenyl)-2-iodoacetamide
CID 33652
1,1-Dibenzyl-3-(2,5-dimethoxyphenyl)urea
CID 311061
2-Methoxy-4-morpholinoaniline hydrochloride
CID 21144261
2-(1-piperidyl)ethyl N-(3-methoxyphenyl)carbamate
CID 41581
N-(2,5-dimethoxyphenyl)-4-phenylbutanamide
CID 836363

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide (CID 651928) is N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide is COc1ccc(OC)c(NC(=O)CCN2CCCC(C)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is YVHQGBQMZABFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-5-4-9-19(12-13)10-8-17(20)18-15-11-14(21-2)6-7-16(15)22-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 651928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).