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

C17H20Cl2N4O — CID 120755903

IUPACN-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)Nc1ccccc1Cl
InChIInChI=1S/C17H19ClN4O.ClH/c18-14-5-1-2-6-15(14)21-17(23)12-22-9-8-20-11-16(22)13-4-3-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2,(H,21,23);1H
InChIKeyUDEGGUMFMFMRDZ-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.74
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120755903) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120755903
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC NameN-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)Nc1ccccc1Cl
InChIInChI=1S/C17H19ClN4O.ClH/c18-14-5-1-2-6-15(14)21-17(23)12-22-9-8-20-11-16(22)13-4-3-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2,(H,21,23);1H
InChIKeyUDEGGUMFMFMRDZ-UHFFFAOYSA-N
XLogP2.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754934
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755163
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
CID 120754693

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120755903) is N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccnc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is UDEGGUMFMFMRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O.ClH/c18-14-5-1-2-6-15(14)21-17(23)12-22-9-8-20-11-16(22)13-4-3-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2,(H,21,23);1H.
What are the key properties of N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120755903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).