3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride

C16H24Cl3N3O — CID 120728374

IUPAC3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride
SMILESCl.NCCC1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H23Cl2N3O.ClH/c17-13-3-4-14(18)15(10-13)20-16(22)6-9-21-8-1-2-12(11-21)5-7-19;/h3-4,10,12H,1-2,5-9,11,19H2,(H,20,22);1H
InChIKeySWNKYDHJVWYMDB-UHFFFAOYSA-N
MW380.75 g/mol
LogP3.80
Rot. Bonds6

About 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride

3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride (PubChem CID 120728374) has the molecular formula C16H24Cl3N3O and a molecular weight of 380.75 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride
PubChem CID120728374
Molecular FormulaC16H24Cl3N3O
Molecular Weight380.75 g/mol
Exact Mass379.10
IUPAC Name3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride
SMILESCl.NCCC1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H23Cl2N3O.ClH/c17-13-3-4-14(18)15(10-13)20-16(22)6-9-21-8-1-2-12(11-21)5-7-19;/h3-4,10,12H,1-2,5-9,11,19H2,(H,20,22);1H
InChIKeySWNKYDHJVWYMDB-UHFFFAOYSA-N
XLogP3.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 120728104
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,5-dichlorophenyl)propanamide
CID 119927708
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
N-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 75834881

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride (CID 120728374) is 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride is Cl.NCCC1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride?
The InChIKey is SWNKYDHJVWYMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O.ClH/c17-13-3-4-14(18)15(10-13)20-16(22)6-9-21-8-1-2-12(11-21)5-7-19;/h3-4,10,12H,1-2,5-9,11,19H2,(H,20,22);1H.
What are the key properties of 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride?
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride has a molecular weight of 380.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 120728374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).