N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide

C15H22ClN3O2 — CID 655203

IUPACN-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1
InChIInChI=1S/C15H22ClN3O2/c1-18-5-7-19(8-6-18)4-3-15(20)17-13-9-12(16)10-14(11-13)21-2/h9-11H,3-8H2,1-2H3,(H,17,20)
InChIKeyHCKWIPZUZTYWHG-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.92
Rot. Bonds5

About N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 655203) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID655203
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1
InChIInChI=1S/C15H22ClN3O2/c1-18-5-7-19(8-6-18)4-3-15(20)17-13-9-12(16)10-14(11-13)21-2/h9-11H,3-8H2,1-2H3,(H,17,20)
InChIKeyHCKWIPZUZTYWHG-UHFFFAOYSA-N
XLogP1.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 655203) is N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide is COc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1.
What is the InChIKey of N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is HCKWIPZUZTYWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-18-5-7-19(8-6-18)4-3-15(20)17-13-9-12(16)10-14(11-13)21-2/h9-11H,3-8H2,1-2H3,(H,17,20).
What are the key properties of N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 655203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).