N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide

C14H20ClN3O — CID 574916

IUPACN-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c1-17-8-10-18(11-9-17)7-6-14(19)16-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyLZOGQKAWICAXSB-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.92
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 574916) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID574916
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c1-17-8-10-18(11-9-17)7-6-14(19)16-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyLZOGQKAWICAXSB-UHFFFAOYSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 574916) is N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is LZOGQKAWICAXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17-8-10-18(11-9-17)7-6-14(19)16-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 281.79 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 574916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).