N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride

C18H28ClN3O4 — CID 119593154

IUPACN-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
SMILESCOc1cc(C(=O)N2CCCC(C(C)N)C2)cc(NC(C)=O)c1OC.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-11(19)13-6-5-7-21(10-13)18(23)14-8-15(20-12(2)22)17(25-4)16(9-14)24-3;/h8-9,11,13H,5-7,10,19H2,1-4H3,(H,20,22);1H
InChIKeyLTEKWNLVZMYEHP-UHFFFAOYSA-N
MW385.89 g/mol
LogP2.28
Rot. Bonds5

About N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride

N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride (PubChem CID 119593154) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
PubChem CID119593154
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC NameN-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
SMILESCOc1cc(C(=O)N2CCCC(C(C)N)C2)cc(NC(C)=O)c1OC.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-11(19)13-6-5-7-21(10-13)18(23)14-8-15(20-12(2)22)17(25-4)16(9-14)24-3;/h8-9,11,13H,5-7,10,19H2,1-4H3,(H,20,22);1H
InChIKeyLTEKWNLVZMYEHP-UHFFFAOYSA-N
XLogP2.28
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
[3-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119595025
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119594083
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119466542
N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119622029
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119594599
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119594927
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
[3-(1-aminoethyl)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119594442
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 119594892
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
CID 119520804

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride?
The IUPAC name of N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride (CID 119593154) is N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride is COc1cc(C(=O)N2CCCC(C(C)N)C2)cc(NC(C)=O)c1OC.Cl.
What is the InChIKey of N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride?
The InChIKey is LTEKWNLVZMYEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-11(19)13-6-5-7-21(10-13)18(23)14-8-15(20-12(2)22)17(25-4)16(9-14)24-3;/h8-9,11,13H,5-7,10,19H2,1-4H3,(H,20,22);1H.
What are the key properties of N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride?
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119593154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).