2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride

C16H25Cl2N3O2 — CID 120728314

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN2CCCC(CCN)C2)cc1Cl.Cl
InChIInChI=1S/C16H24ClN3O2.ClH/c1-22-15-5-4-13(9-14(15)17)19-16(21)11-20-8-2-3-12(10-20)6-7-18;/h4-5,9,12H,2-3,6-8,10-11,18H2,1H3,(H,19,21);1H
InChIKeyJPHQDDACJCHJBU-UHFFFAOYSA-N
MW362.30 g/mol
LogP2.77
Rot. Bonds6

About 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride (PubChem CID 120728314) has the molecular formula C16H25Cl2N3O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
PubChem CID120728314
Molecular FormulaC16H25Cl2N3O2
Molecular Weight362.30 g/mol
Exact Mass361.13
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN2CCCC(CCN)C2)cc1Cl.Cl
InChIInChI=1S/C16H24ClN3O2.ClH/c1-22-15-5-4-13(9-14(15)17)19-16(21)11-20-8-2-3-12(10-20)6-7-18;/h4-5,9,12H,2-3,6-8,10-11,18H2,1H3,(H,19,21);1H
InChIKeyJPHQDDACJCHJBU-UHFFFAOYSA-N
XLogP2.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
methyl 4-[[(3R)-3-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]piperidin-1-yl]methyl]benzoate
CID 26323020
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
N-(3-chloro-4-methoxyphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923559
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 120728107
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 45200156
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 9131080

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride (CID 120728314) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride is COc1ccc(NC(=O)CN2CCCC(CCN)C2)cc1Cl.Cl.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is JPHQDDACJCHJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2.ClH/c1-22-15-5-4-13(9-14(15)17)19-16(21)11-20-8-2-3-12(10-20)6-7-18;/h4-5,9,12H,2-3,6-8,10-11,18H2,1H3,(H,19,21);1H.
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120728314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).