N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C18H22N4O2 — CID 120754525

IUPACN-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C18H22N4O2/c1-24-17-7-3-2-6-15(17)21-18(23)13-22-10-9-20-12-16(22)14-5-4-8-19-11-14/h2-8,11,16,20H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyIUSAQNWVXTULRX-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.68
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120754525) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120754525
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C18H22N4O2/c1-24-17-7-3-2-6-15(17)21-18(23)13-22-10-9-20-12-16(22)14-5-4-8-19-11-14/h2-8,11,16,20H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyIUSAQNWVXTULRX-UHFFFAOYSA-N
XLogP1.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-[2-(2-methoxyphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754400
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(2,3-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754934
N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755324
N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755163
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
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-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120754525) is N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is COc1ccccc1NC(=O)CN1CCNCC1c1cccnc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is IUSAQNWVXTULRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-17-7-3-2-6-15(17)21-18(23)13-22-10-9-20-12-16(22)14-5-4-8-19-11-14/h2-8,11,16,20H,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120754525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).