N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C18H23ClN4O — CID 120755244

IUPACN-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)NCc1ccccc1
InChIInChI=1S/C18H22N4O.ClH/c23-18(21-11-15-5-2-1-3-6-15)14-22-10-9-20-13-17(22)16-7-4-8-19-12-16;/h1-8,12,17,20H,9-11,13-14H2,(H,21,23);1H
InChIKeyBISSGYRIIYNFAO-UHFFFAOYSA-N
MW346.86 g/mol
LogP1.77
Rot. Bonds5

About N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120755244) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120755244
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)NCc1ccccc1
InChIInChI=1S/C18H22N4O.ClH/c23-18(21-11-15-5-2-1-3-6-15)14-22-10-9-20-13-17(22)16-7-4-8-19-12-16;/h1-8,12,17,20H,9-11,13-14H2,(H,21,23);1H
InChIKeyBISSGYRIIYNFAO-UHFFFAOYSA-N
XLogP1.77
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755361
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
N-[(1-phenylpyrazol-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754244
2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 120755838
N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755961
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755646
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-[(4-phenyloxan-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755783

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120755244) is N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccnc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is BISSGYRIIYNFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.ClH/c23-18(21-11-15-5-2-1-3-6-15)14-22-10-9-20-13-17(22)16-7-4-8-19-12-16;/h1-8,12,17,20H,9-11,13-14H2,(H,21,23);1H.
What are the key properties of N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120755244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).