N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride

C17H27ClN2O4 — CID 119425485

IUPACN-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)NC2CCCNC2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-14-9-12(10-15(22-2)17(14)23-3)6-7-16(20)19-13-5-4-8-18-11-13;/h9-10,13,18H,4-8,11H2,1-3H3,(H,19,20);1H
InChIKeyFMBJIOGYMCKBCI-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.93
Rot. Bonds7

About N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride

N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride (PubChem CID 119425485) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
PubChem CID119425485
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)NC2CCCNC2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-14-9-12(10-15(22-2)17(14)23-3)6-7-16(20)19-13-5-4-8-18-11-13;/h9-10,13,18H,4-8,11H2,1-3H3,(H,19,20);1H
InChIKeyFMBJIOGYMCKBCI-UHFFFAOYSA-N
XLogP1.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119456262
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119427804
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride (CID 119425485) is N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride is COc1cc(CCC(=O)NC2CCCNC2)cc(OC)c1OC.Cl.
What is the InChIKey of N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is FMBJIOGYMCKBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-21-14-9-12(10-15(22-2)17(14)23-3)6-7-16(20)19-13-5-4-8-18-11-13;/h9-10,13,18H,4-8,11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119425485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).