N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

C18H29ClN2O4 — CID 119558452

IUPACN-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)NCCC2CCCNC2)cc(OC)c1OC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-22-15-9-14(10-16(23-2)18(15)24-3)11-17(21)20-8-6-13-5-4-7-19-12-13;/h9-10,13,19H,4-8,11-12H2,1-3H3,(H,20,21);1H
InChIKeyRNZRYWOFJHNLSF-UHFFFAOYSA-N
MW372.89 g/mol
LogP2.18
Rot. Bonds8

About N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (PubChem CID 119558452) has the molecular formula C18H29ClN2O4 and a molecular weight of 372.89 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
PubChem CID119558452
Molecular FormulaC18H29ClN2O4
Molecular Weight372.89 g/mol
Exact Mass372.18
IUPAC NameN-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)NCCC2CCCNC2)cc(OC)c1OC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-22-15-9-14(10-16(23-2)18(15)24-3)11-17(21)20-8-6-13-5-4-7-19-12-13;/h9-10,13,19H,4-8,11-12H2,1-3H3,(H,20,21);1H
InChIKeyRNZRYWOFJHNLSF-UHFFFAOYSA-N
XLogP2.18
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119537060
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556011
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (CID 119558452) is N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is COc1cc(CC(=O)NCCC2CCCNC2)cc(OC)c1OC.Cl.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is RNZRYWOFJHNLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.ClH/c1-22-15-9-14(10-16(23-2)18(15)24-3)11-17(21)20-8-6-13-5-4-7-19-12-13;/h9-10,13,19H,4-8,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride has a molecular weight of 372.89 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119558452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).