N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride

C15H21Cl3N6O — CID 120870143

IUPACN-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN6O.2ClH/c1-21-6-5-18-15(21)12-9-17-4-7-22(12)10-14(23)20-13-3-2-11(16)8-19-13;;/h2-3,5-6,8,12,17H,4,7,9-10H2,1H3,(H,19,20,23);2*1H
InChIKeyKSEGBVVDFZDCKH-UHFFFAOYSA-N
MW407.73 g/mol
LogP1.90
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride

N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 120870143) has the molecular formula C15H21Cl3N6O and a molecular weight of 407.73 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID120870143
Molecular FormulaC15H21Cl3N6O
Molecular Weight407.73 g/mol
Exact Mass406.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN6O.2ClH/c1-21-6-5-18-15(21)12-9-17-4-7-22(12)10-14(23)20-13-3-2-11(16)8-19-13;;/h2-3,5-6,8,12,17H,4,7,9-10H2,1H3,(H,19,20,23);2*1H
InChIKeyKSEGBVVDFZDCKH-UHFFFAOYSA-N
XLogP1.90
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.73
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870144
N-(5-bromo-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869936
N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870196
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870948

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride (CID 120870143) is N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride is Cl.Cl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is KSEGBVVDFZDCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O.2ClH/c1-21-6-5-18-15(21)12-9-17-4-7-22(12)10-14(23)20-13-3-2-11(16)8-19-13;;/h2-3,5-6,8,12,17H,4,7,9-10H2,1H3,(H,19,20,23);2*1H.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride?
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 407.73 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120870143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).