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

C16H25Cl2N3O — CID 120728146

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCCC(CCN)C1.Cl
InChIInChI=1S/C16H24ClN3O.ClH/c1-12-9-14(17)4-5-15(12)19-16(21)11-20-8-2-3-13(10-20)6-7-18;/h4-5,9,13H,2-3,6-8,10-11,18H2,1H3,(H,19,21);1H
InChIKeyKOTLUCIDKVYCKS-UHFFFAOYSA-N
MW346.30 g/mol
LogP3.07
Rot. Bonds5

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

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride (PubChem CID 120728146) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
PubChem CID120728146
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCCC(CCN)C1.Cl
InChIInChI=1S/C16H24ClN3O.ClH/c1-12-9-14(17)4-5-15(12)19-16(21)11-20-8-2-3-13(10-20)6-7-18;/h4-5,9,13H,2-3,6-8,10-11,18H2,1H3,(H,19,21);1H
InChIKeyKOTLUCIDKVYCKS-UHFFFAOYSA-N
XLogP3.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227238
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride
CID 120728374
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120728492
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 79992672
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride (CID 120728146) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride is Cc1cc(Cl)ccc1NC(=O)CN1CCCC(CCN)C1.Cl.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride?
The InChIKey is KOTLUCIDKVYCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O.ClH/c1-12-9-14(17)4-5-15(12)19-16(21)11-20-8-2-3-13(10-20)6-7-18;/h4-5,9,13H,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-(4-chloro-2-methylphenyl)acetamide;hydrochloride?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride has a molecular weight of 346.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120728146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).