N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide

C15H22ClN3O — CID 883553

IUPACN-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H22ClN3O/c1-12-13(16)4-3-5-14(12)17-15(20)6-7-19-10-8-18(2)9-11-19/h3-5H,6-11H2,1-2H3,(H,17,20)
InChIKeyUSCBOSAVCVJKNS-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.22
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 883553) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID883553
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H22ClN3O/c1-12-13(16)4-3-5-14(12)17-15(20)6-7-19-10-8-18(2)9-11-19/h3-5H,6-11H2,1-2H3,(H,17,20)
InChIKeyUSCBOSAVCVJKNS-UHFFFAOYSA-N
XLogP2.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 883553) is N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide is Cc1c(Cl)cccc1NC(=O)CCN1CCN(C)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is USCBOSAVCVJKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12-13(16)4-3-5-14(12)17-15(20)6-7-19-10-8-18(2)9-11-19/h3-5H,6-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 295.81 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 883553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).