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

C18H21ClN4O2 — CID 5055605

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-25-16-6-5-14(12-15(16)19)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyKOUKBVJVWQGBLQ-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.50
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 5055605) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID5055605
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-25-16-6-5-14(12-15(16)19)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyKOUKBVJVWQGBLQ-UHFFFAOYSA-N
XLogP2.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 5055605) is N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is KOUKBVJVWQGBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-16-6-5-14(12-15(16)19)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 360.85 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5055605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).