N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride

C18H29ClN2O4 — CID 120599219

IUPACN-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NC2CCNC(C)C2)c(OC)c1OC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-12-11-14(9-10-19-12)20-16(21)8-6-13-5-7-15(22-2)18(24-4)17(13)23-3;/h5,7,12,14,19H,6,8-11H2,1-4H3,(H,20,21);1H
InChIKeyPQSSOGREBOVKPO-UHFFFAOYSA-N
MW372.89 g/mol
LogP2.32
Rot. Bonds7

About N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride

N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride (PubChem CID 120599219) has the molecular formula C18H29ClN2O4 and a molecular weight of 372.89 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
PubChem CID120599219
Molecular FormulaC18H29ClN2O4
Molecular Weight372.89 g/mol
Exact Mass372.18
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NC2CCNC(C)C2)c(OC)c1OC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-12-11-14(9-10-19-12)20-16(21)8-6-13-5-7-15(22-2)18(24-4)17(13)23-3;/h5,7,12,14,19H,6,8-11H2,1-4H3,(H,20,21);1H
InChIKeyPQSSOGREBOVKPO-UHFFFAOYSA-N
XLogP2.32
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120598207
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598164
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
2-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601993
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120601834

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride (CID 120599219) is N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride is COc1ccc(CCC(=O)NC2CCNC(C)C2)c(OC)c1OC.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is PQSSOGREBOVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.ClH/c1-12-11-14(9-10-19-12)20-16(21)8-6-13-5-7-15(22-2)18(24-4)17(13)23-3;/h5,7,12,14,19H,6,8-11H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 372.89 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120599219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).