N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C18H21ClN4O — CID 120755860

IUPACN-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C18H21ClN4O/c1-13-9-15(19)4-5-16(13)22-18(24)12-23-8-7-21-11-17(23)14-3-2-6-20-10-14/h2-6,9-10,17,21H,7-8,11-12H2,1H3,(H,22,24)
InChIKeyHTGTZFDZVPOFAV-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.63
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120755860) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120755860
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C18H21ClN4O/c1-13-9-15(19)4-5-16(13)22-18(24)12-23-8-7-21-11-17(23)14-3-2-6-20-10-14/h2-6,9-10,17,21H,7-8,11-12H2,1H3,(H,22,24)
InChIKeyHTGTZFDZVPOFAV-UHFFFAOYSA-N
XLogP2.63
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755163
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(2,3-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754934
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
CID 120754693
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120755860) is N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CCNCC1c1cccnc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is HTGTZFDZVPOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-13-9-15(19)4-5-16(13)22-18(24)12-23-8-7-21-11-17(23)14-3-2-6-20-10-14/h2-6,9-10,17,21H,7-8,11-12H2,1H3,(H,22,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120755860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).