N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

C15H22ClN3O2 — CID 891662

IUPACN-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C15H22ClN3O2/c1-12-13(16)3-2-4-14(12)17-15(21)11-19-7-5-18(6-8-19)9-10-20/h2-4,20H,5-11H2,1H3,(H,17,21)
InChIKeyNQIAXFVKNBTLPE-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.20
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 891662) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID891662
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C15H22ClN3O2/c1-12-13(16)3-2-4-14(12)17-15(21)11-19-7-5-18(6-8-19)9-10-20/h2-4,20H,5-11H2,1H3,(H,17,21)
InChIKeyNQIAXFVKNBTLPE-UHFFFAOYSA-N
XLogP1.20
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 891662) is N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)CN1CCN(CCO)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is NQIAXFVKNBTLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-12-13(16)3-2-4-14(12)17-15(21)11-19-7-5-18(6-8-19)9-10-20/h2-4,20H,5-11H2,1H3,(H,17,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 891662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).