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

C16H25Cl2N3O — CID 120728492

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCCC1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClN3O.ClH/c17-15-5-3-13(4-6-15)10-19-16(21)12-20-9-1-2-14(11-20)7-8-18;/h3-6,14H,1-2,7-12,18H2,(H,19,21);1H
InChIKeyYSTXQSVOCMNAFI-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.44
Rot. Bonds6

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

2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride (PubChem CID 120728492) 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-chlorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
PubChem CID120728492
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCCC1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClN3O.ClH/c17-15-5-3-13(4-6-15)10-19-16(21)12-20-9-1-2-14(11-20)7-8-18;/h3-6,14H,1-2,7-12,18H2,(H,19,21);1H
InChIKeyYSTXQSVOCMNAFI-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 119927205
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
CID 120728422
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride (CID 120728492) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride is Cl.NCCC1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is YSTXQSVOCMNAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O.ClH/c17-15-5-3-13(4-6-15)10-19-16(21)12-20-9-1-2-14(11-20)7-8-18;/h3-6,14H,1-2,7-12,18H2,(H,19,21);1H.
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.44, 6 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-chlorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120728492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).